SCHEMBL23625618

SCHEMBL23625618

Brc1ccc(-c2nnn(-c3ccccc3)n2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.50
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.42
ABCB1 P08183 2/20 0.41
HPGD P15428 2/20 0.39
GRM5 P41594 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL23625646 0.89 ABCG2 (0.57) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL23625622 0.87 ABCG2 (0.56) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL24849849 0.83 ABCG2 (0.51) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL23625881 0.81 ABCG2 (0.50) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL26604108 0.80 NPC1 (0.49) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL23625619 0.78 ABCG2 (0.47) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL26716877 0.78 ABCG2 (0.47) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL24849847 0.78 ABCG2 (0.47) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL164439 0.74 ABCG2 (0.53) ABCG2NPC1RAB9AMAPTPKM
SCHEMBL2898484 0.73 EPHX2 (0.36) NPC1RAB9AMAPTKDM4EHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085093-B1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS INCLUDING POLYTETRAZOLE CROSS-LINKING AGENTS AND TYRES COMPRISING THE SAME PIRELLI (IT) 2023-11-08 EP disclosed
US-20230257552-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING TETRAZOLE COMPATIBILIZING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2023-08-17 US disclosed
US-20230257552-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING TETRAZOLE COMPATIBILIZING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2023-08-17 US disclosed
US-20230058851-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS INCLUDING POLYTETRAZOLE CROSS-LINKING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2023-02-23 US disclosed
WO-2023275783-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING FUNCTIONALISED DIENE POLYMERS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2023-01-05 WO disclosed
WO-2021260635-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING TETRAZOLE COMPATIBILIZING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2021-12-30 WO disclosed
WO-2021137143-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS INCLUDING POLYTETRAZOLE CROSS-LINKING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2021-07-08 WO disclosed