SCHEMBL5196996

SCHEMBL5196996

O=C(O)Oc1sc(-c2ccccc2)nc1NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.51
▸ XDH P47989 1/20 0.50
▸ ADORA1 P30542 6/20 0.49
▸ ADORA2A P29274 5/20 0.49
▸ TMIGD3 P0DMS9 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ PLCG2 P16885 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL5195844 0.84 DHODH (0.49) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL5195674 0.81 XDH (0.62) ADORA3XDHADORA1ADORA2ATMIGD3
SCHEMBL5196804 0.81 LMNA (0.53) ADORA3ADORA1ADORA2AKDM4ENPC1
SCHEMBL5196570 0.78 MAPT (0.45) ADORA3ADORA1ADORA2ANPC1RAB9A
SCHEMBL5196165 0.75 MAPT (0.45) ADORA3XDHKDM4ENPC1RAB9A
SCHEMBL3817368 0.75 HPGD (0.56) ADORA3KDM4ENPC1RAB9AMAPT
SCHEMBL14874759 0.72 SMN1; SMN2 (0.64) XDHKDM4ENPC1RAB9AMAPT
SCHEMBL13685249 0.70 SMN1; SMN2 (0.61) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL1082315 0.70 KDM4E (0.62) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL2817297 0.70 KDM4E (0.65) KDM4ENPC1RAB9AMAPTALDH1A1

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
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP claimed
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