SCHEMBL14404445

SCHEMBL14404445

CBc1cc(C(=O)Nc2ccccc2)c2nn(Cc3ccc(OC)cc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.45
AURKA O14965 5/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 1/20 0.44
SNCA P37840 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL10214813 0.87 AURKA (0.47) NPC1LMNARAB9AAURKAMAPT
SCHEMBL957961 0.73 NPC1 (0.52) NPC1LMNARAB9AAURKAMAPT
SCHEMBL760762 0.72 KMT2A (0.47) NPC1RAB9AALDH1A1L3MBTL1ADORA3
SCHEMBL762095 0.71 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1ADORA3SNCA
SCHEMBL9943544 0.70 IRAK4 (0.49) NPC1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL23514479 0.69 KMT2A (0.47) NPC1RAB9AALDH1A1L3MBTL1ADORA3
SCHEMBL953675 0.69 AKR1C3 (0.48) NPC1AURKASMN1; SMN2L3MBTL1ADORA3
SCHEMBL23514478 0.69 L3MBTL1 (0.43) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL30050915 0.66 PARP1 (0.52) NPC1RAB9AL3MBTL1ADORA3SNCA
SCHEMBL2579724 0.66 KLKB1 (0.43) NPC1RAB9AALDH1A1L3MBTL1ADORA3

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-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed