SCHEMBL23625879

SCHEMBL23625879

Oc1ccc(-n2nnc(-c3ccccc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
ABCG2 Q9UNQ0 2/20 0.58
RAB9A P51151 6/20 0.58
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CHRNB2 P17787 2/20 0.47
CHRNA5 P30532 2/20 0.47
CHRNA4 P43681 2/20 0.47
MMP9 P14780 3/20 0.45
MMP2 P08253 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRM5 P41594 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
HPGD P15428 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL23625643 0.93 NPC1 (0.61) NPC1ABCG2RAB9AMAPTALDH1A1
SCHEMBL23625641 0.91 NPC1 (0.57) NPC1ABCG2RAB9AMAPTALDH1A1
SCHEMBL29736032 0.87 NPC1 (0.77) NPC1ABCG2RAB9AMAPTALDH1A1
SCHEMBL2210517 0.87 NPC1 (0.77) NPC1ABCG2RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL8698166 0.85 NPC1 (0.74) NPC1ABCG2RAB9AMAPTALDH1A1
Bromide SCHEMBL146883 0.85 NPC1 (0.74) NPC1ABCG2RAB9AMAPTALDH1A1
Bromide SCHEMBL28209867 0.85 NPC1 (0.74) NPC1ABCG2RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL1219233 0.85 NPC1 (0.74) NPC1ABCG2RAB9AMAPTALDH1A1
Bromide SCHEMBL28209866 0.85 NPC1 (0.74) NPC1ABCG2RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL8698170 0.85 NPC1 (0.74) NPC1ABCG2RAB9AMAPTALDH1A1

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