SCHEMBL9840906

SCHEMBL9840906

CCCCCc1cnc(-c2ccc(OC(=O)C(C)CCC)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.57
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 6/20 0.49
RAB9A P51151 8/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 6/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL9840494 0.99 RARB (0.59) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9839752 0.99 RARB (0.59) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840675 0.99 RARB (0.59) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840863 0.99 RARB (0.59) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL10719851 0.99 RARB (0.56) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840511 0.96 RARB (0.52) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9786474 0.94 RARB (0.59) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL10702381 0.93 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9819195 0.93 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL7094247 0.93 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E

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