SCHEMBL4746922

SCHEMBL4746922

CCC(c1ccccc1)(c1ccccc1)N(CCN1CCOCC1)C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.56
PHGDH O43175 1/20 0.45
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 5/20 0.42
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL124900 0.81 CASR (0.85) CASR
Hydrochloric Acid SCHEMBL126434 0.81 CASR (0.83) CASR
SCHEMBL4217249 0.76 MAPT (0.52) MAPTLMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL4212296 0.74 MAPT (0.44) CASRKDM4EMAPTLMNAHTT
SCHEMBL4206760 0.73 MAPT (0.47) CASRKDM4EMAPTLMNAHTT
SCHEMBL4218293 0.72 MAPT (0.46) CASRPHGDHKDM4EMAPTLMNA
SCHEMBL127866 0.72 CASR (0.89) CASR
SCHEMBL172222 0.72 CASR (1.00) CASR
SCHEMBL128096 0.72 CASR (0.85) CASR
Hydrochloric Acid SCHEMBL128875 0.72 CASR (0.87) CASR

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-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP claimed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 WO claimed