SCHEMBL1684347

SCHEMBL1684347

O=C(NCCOc1ccc(F)cc1)c1cnc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ EPHB3 P54753 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ SLC27A1 Q6PCB7 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 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
SCHEMBL1682619 0.90 EPHB3 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL10086803 0.89 NPC1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL10086785 0.88 CASR (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL1683351 0.88 EPHB3 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL10086773 0.82 RAB9A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL10086778 0.81 EPHB3 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL10086784 0.80 EPHB3 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL1683591 0.79 KDM4E (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL29843826 0.79 EPHB3 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL19362092 0.78 EPHB3 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012045729-A1 IMIDAZO [1, 2 -A] PYRIDINE AND PYRAZOLO [1, 5 -A] PYRIDINE DERIVATIVES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-12 — — WO disclosed
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