SCHEMBL9384243

SCHEMBL9384243

O=c1n[c][nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.44
AURKA O14965 1/20 0.44
FEN1 P39748 1/20 0.40
KMT2A Q03164 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
AXL P30530 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
LOXL3 P58215 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
LRRK2 Q5S007 1/20 0.35
DAO P14920 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL83269 0.72
SCHEMBL6326428 0.72 ADORA2A (0.46) PARP1AURKAFEN1KMT2AADORA2A
SCHEMBL554567 0.71 ALDH1A1 (0.40) PARP1KMT2AMEN1MAPTALDH1A1
SCHEMBL3084745 0.69 AXL (0.53) PARP1AURKAFEN1KMT2AADORA2A
SCHEMBL3246330 0.67 AURKA (0.53) PARP1AURKAFEN1KMT2AADORA2A
SCHEMBL15776205 0.66 ADORA2A (0.55) PARP1AURKAFEN1ADORA2AADORA1
SCHEMBL18742076 0.65 NPC1 (0.42) PARP1AURKAFEN1KMT2AAXL
SCHEMBL3058184 0.65 METAP2 (0.58) PARP1AURKAKMT2AMAPTALDH1A1
SCHEMBL2065666 0.64 PARP1 (0.55) PARP1AURKAFEN1KMT2AADORA2A
SCHEMBL29883758 0.64 PARP1 (0.55) PARP1AURKAFEN1KMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP claimed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO claimed
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP disclosed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO disclosed