SCHEMBL4738750

SCHEMBL4738750

O=c1nc(-c2ccccc2Cl)[nH]c2c1SCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ PIM1 P11309 7/20 0.41
▸ CSNK2A2 P19784 7/20 0.41
▸ CSNK2B P67870 7/20 0.41
▸ PIM3 Q86V86 7/20 0.41
▸ PIM2 Q9P1W9 7/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL4738751 0.78 ALDH1A1 (0.53) GUSBALDH1A1NPC1RAB9APOLB
SCHEMBL24188144 0.69 GUSB (0.47) GUSBALDH1A1NPC1RAB9APOLB
SCHEMBL31288988 0.68 ALDH1A1 (0.49) GUSBALDH1A1NPC1RAB9APOLB
SCHEMBL8623118 0.68 PTGES (0.63) GUSBALDH1A1NPC1RAB9AKDM4E
SCHEMBL24187953 0.65 PDCD1 (0.62) GUSBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24188247 0.65 PDCD1 (0.49) GUSBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23849970 0.64 KDR (0.48) —
SCHEMBL10464 0.63 MAPT (0.46) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL801934 0.62 GUSB (0.59) GUSBALDH1A1NPC1RAB9AMEN1
SCHEMBL28365313 0.62 IDO1 (0.74) GUSBALDH1A1NPC1RAB9AKDM4E

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-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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