SCHEMBL9840291

SCHEMBL9840291

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.56
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 6/20 0.48
RAB9A P51151 8/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 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
SCHEMBL9840377 0.99 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840512 0.99 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9839577 0.99 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9839806 0.99 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840561 0.97 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840788 0.95 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840775 0.94 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9839540 0.94 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840801 0.94 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL9840634 0.94 RARB (0.60) 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