SCHEMBL9840801

SCHEMBL9840801

CCCCCCCc1cnc(-c2ccc(OC(=O)C(CCC)CCC)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.60
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 6/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 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
SCHEMBL9840634 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9839540 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9840775 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9840788 0.99 RARB (0.58) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9839577 0.95 RARB (0.58) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9839806 0.95 RARB (0.58) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9840512 0.95 RARB (0.58) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9840377 0.95 RARB (0.58) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9840224 0.95 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9840291 0.94 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AKDM4E

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-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed