SCHEMBL18708386

SCHEMBL18708386

CCCC(CC)NCc1cc(C(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 11/20 0.47
▸ KDM5C P41229 6/20 0.47
▸ KDM5A P29375 6/20 0.47
▸ KDM4A O75164 4/20 0.47
▸ KDM6B O15054 3/20 0.47
▸ KDM2B Q8NHM5 1/20 0.47
▸ HCAR3 P49019 2/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.41
▸ KDM4C Q9H3R0 5/20 0.40
▸ KDM4D Q6B0I6 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ KDM2A Q9Y2K7 2/20 0.40
▸ KDM3A Q9Y4C1 2/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ TET3 O43151 1/20 0.40
▸ BBOX1 O75936 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ASPH Q12797 1/20 0.40

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
SCHEMBL18708385 0.82 KDM5B (0.46) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708529 0.80 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291489 0.78 KDM5C (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17144520 0.78 TRPV3 (0.50) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17144518 0.78 TRPV3 (0.50) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15987656 0.76 KDM5B (0.56) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19549130 0.75 KDM5B (0.47) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16055756 0.74 KDM4E (0.65) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL1647272 0.73 CYP1A2 (0.61) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291806 0.73 KDM5B (0.53) KDM5BKDM5CKDM5AKDM4AKDM6B

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 2 patents. 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
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
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