SCHEMBL29658287

SCHEMBL29658287

c1ccc2sc(SNC3CCCCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
HPGD P15428 5/20 1.00
TDP1 Q9NUW8 2/20 1.00
TXN P10599 1/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
TSHR P16473 3/20 0.57
MAOB P27338 1/20 0.56
CYP1A2 P05177 4/20 0.54
CYP2D6 P10635 4/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HSD17B10 Q99714 2/20 0.51
FBP1 P09467 2/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL80270 1.00 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL10714830 0.99 ALDH1A1 (0.97) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL11445594 0.98 ALDH1A1 (0.97) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL22607683 0.93 ALDH1A1 (0.87) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL29003989 0.92 ALDH1A1 (0.86) ALDH1A1HPGDTDP1TXNNPC1
Guanidine SCHEMBL10893242 0.92 ALDH1A1 (0.85) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL6290782 0.90 ALDH1A1 (0.81) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL30350291 0.86 ALDH1A1 (0.75) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL18398036 0.86 ALDH1A1 (0.75) ALDH1A1HPGDTDP1TXNNPC1
SCHEMBL18407699 0.86 ALDH1A1 (0.75) ALDH1A1HPGDTDP1TXNNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747302-A2 REPAIR AND OPTIMIZATION OF NANOCOMPOSITE MATERIALS Nanocore ApS (DK) 2026-05-27 EP claimed
WO-2025229665-A1 PREPARATION OF GRAPHENE-RUBBER MASTERBATCH CEAT LIMITED (IN) 2025-11-06 WO claimed
WO-2025201827-A1 RUBBER MIXTURE AND VEHICLE TYRE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2025-10-02 WO claimed
EP-4441112-A1 METHOD OF UNDERWATER BONDING Henkel AG & Co. KGaA (DE) 2024-10-09 EP claimed
WO-2023099777-A1 METHOD OF UNDERWATER BONDING Henkel IP & Holding GmbH (DE) 2023-06-08 WO claimed
EP-3947546-B1 POLYENES FOR CURABLE LIQUID RUBBER-BASED COMPOSITIONS FINA TECHNOLOGY (US) 2023-04-19 EP claimed
EP-4747302-A2 REPAIR AND OPTIMIZATION OF NANOCOMPOSITE MATERIALS Nanocore ApS (DK) 2026-05-27 EP disclosed
WO-2026102105-A1 FUNCTIONAL POLYBUTADIENE AND CARBON BLACK IN RUBBER COMPOUNDS BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2026-05-15 WO disclosed
EP-4347704-B1 RUBBER COMPOSITION CONTAINING ADDITIVE AND ITS USE SCHILL SEILACHER STRUKTOL GMBH (DE) 2026-05-13 EP disclosed
EP-4716721-A1 COMPOUND FOR USE AS ANTI-AGING AGENT IN RUBBER BLENDS, AND VEHICLE TIRE Continental Reifen Deutschland GmbH (DE) 2026-04-01 EP disclosed
EP-4716720-A1 COMPOUND FOR USE AS ANTI-AGING AGENT IN RUBBER BLENDS, AND VEHICLE TIRE Continental Reifen Deutschland GmbH (DE) 2026-04-01 EP disclosed
EP-4702090-A1 TYRE FOR VEHICLE WHEEL WITH SUPERIOR WEAR RESISTANCE AND GRIP Pirelli Tyre S.p.A. (IT) 2026-03-04 EP disclosed
EP-4702089-A1 TYRE FOR VEHICLE WHEEL WITH SUPERIOR WEAR RESISTANCE AND GRIP Pirelli Tyre S.p.A. (IT) 2026-03-04 EP disclosed
WO-2022137166-A1 A SELF-SUPPORTING TYRE FOR AUTOMOTIVE WHEELS PIRELLI TYRE S.P.A. (IT) 2022-06-30 WO disclosed
WO-2022137099-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS AND TYRES FOR VEHICLES COMPRISING REVERSIBLE CROSS-LINKING AGENT PIRELLI TYRE S.P.A. (IT) 2022-06-30 WO disclosed
WO-2022130201-A1 COMPOUNDS FOR TREADS AND TYRES COMPRISING THEM PIRELLI TYRE S.P.A. (IT) 2022-06-23 WO disclosed
WO-2022133478-A1 TIRE RUBBER COMPOSITIONS COMBINING BAGASSE-CONTAINING GUAYULE RUBBER WITH SILANE AND RELATED METHODS BRIDGESTONE CORPORATION (JP) 2022-06-23 WO disclosed
WO-2022112994-A1 PROCESS FOR PREPARING AN ELASTOMERIC COMPOSITION AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2022-06-02 WO disclosed
EP-4006112-A1 MIXTURES, ESPECIALLY RUBBER MIXTURES, CONTAINING PARTICULATE CARBONACEOUS MATERIAL OBTAINABLE FROM RENEWABLE RAW MATERIALS AND USE THEREOF SunCoal Industries GmbH (DE) 2022-06-01 EP disclosed
EP-4004101-A1 TYRE FOR VEHICLE WHEELS Pirelli Tyre S.P.A. (IT) 2022-06-01 EP disclosed