SCHEMBL15577178

SCHEMBL15577178

Cc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CASP6 P55212 1/20 0.60
CYP2D6 P10635 1/20 0.58
MAPT P10636 3/20 0.57
ALOX15 P16050 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GLA P06280 1/20 0.57
PRMT5 O14744 2/20 0.56
MAPK1 P28482 1/20 0.55
SIRT1 Q96EB6 7/20 0.53
SIRT2 Q8IXJ6 3/20 0.52
RECQL P46063 1/20 0.52
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 1/20 0.48
DHODH Q02127 1/20 0.48
LMNA P02545 1/20 0.47
BRD3 Q15059 1/20 0.47

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
SCHEMBL15614787 1.00 GAA (0.60) GAACASP6CYP2D6MAPTALOX15
SCHEMBL4148059 0.93 MAPT (0.63) GAACASP6CYP2D6MAPTALOX15
SCHEMBL16941536 0.93 GAA (0.65) GAACASP6CYP2D6MAPTALOX15
SCHEMBL4148681 0.90 ALOX15 (0.68) CYP2D6MAPTALOX15SMN1; SMN2MEN1
SCHEMBL16946169 0.88 CYP2D6 (0.74) GAACASP6CYP2D6MAPTALOX15
SCHEMBL4156108 0.88 CYP2D6 (0.74) GAACASP6CYP2D6MAPTALOX15
SCHEMBL4142828 0.86 CYP2D6 (0.79) GAACASP6CYP2D6MAPTALOX15
SCHEMBL15614780 0.84 GAA (0.59) GAACASP6CYP2D6MAPTALOX15
SCHEMBL4153687 0.84 CYP2D6 (0.56) GAACASP6CYP2D6MAPTALOX15
SCHEMBL4143028 0.84 MAPT (0.63) CYP2D6MAPTALOX15SMN1; SMN2MEN1

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-2895462-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS Baden-Württemberg Stiftung gGmbH (DE) 2015-07-22 EP disclosed
WO-2014041125-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS BADEN-WÜRTTEMBERG STIFTUNG GMBH (DE) 2014-03-20 WO disclosed