SCHEMBL9035933

SCHEMBL9035933

N#Cc1ccc(COc2[c]cccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SMPD1 P17405 1/20 0.41
AR P10275 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP2A6 P11509 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GHSR Q92847 1/20 0.38

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
SCHEMBL95381 0.81 TSHR (0.44) MAOBRAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL7086574 0.80 LMNA (0.48) SMN1; SMN2GAAL3MBTL1KMT2AKDM4E
SCHEMBL27802210 0.78 MAOB (0.46) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1907545 0.78 MAOB (0.43) MAOBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6796911 0.78 MAOB (0.44) MAOBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2451731 0.78 MAOB (0.43) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5790467 0.78 TP53 (0.40) NPC1SMN1; SMN2L3MBTL1KMT2AKDM4E
SCHEMBL3973667 0.78 IDO1 (0.48) GAASMPD1KMT2AHPGD
SCHEMBL28273577 0.77 KDM4E (0.44) KDM4ELOXL2ALDH1A1
SCHEMBL13722512 0.77 MAOB (0.44) MAOBRAB9ASMPD1CYP2A6LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed