SCHEMBL19676370

SCHEMBL19676370

CC(=O)CNCc1cc(C(C)=O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 16/20 0.50
▸ KDM5C P41229 10/20 0.50
▸ KDM5A P29375 7/20 0.50
▸ KDM4A O75164 4/20 0.50
▸ KDM6B O15054 1/20 0.50
▸ KDM2B Q8NHM5 1/20 0.50
▸ KDM4C Q9H3R0 2/20 0.49
▸ KDM5D Q9BY66 1/20 0.49
▸ KDM4B O94953 2/20 0.48
▸ TSHR P16473 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36

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
SCHEMBL20024591 0.83 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL22214937 0.82 TSHR (0.45) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18415056 0.76 CYP1A2 (0.61) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL24690842 0.76 PKM (0.46) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL12831873 0.76 SMN1; SMN2 (0.59) TSHRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL12640033 0.75 CYP1A2 (0.42) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL26862991 0.75 KDM5B (0.58) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL22005801 0.74 KDM5C (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL29129147 0.74 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL6637823 0.73 TSHR (0.47) KDM5BKDM5CKDM4AKDM4CKDM4B

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-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
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