SCHEMBL5708487

SCHEMBL5708487

CC(=O)NN=c1sc(C)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 4/20 0.43
MEN1 O00255 3/20 0.43
RECQL P46063 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL5708553 0.87 KMT2A (0.45) KMT2ACYP2C9CYP2C19CYP1A2MEN1
SCHEMBL5708507 0.85 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5708565 0.84 KMT2A (0.60) KMT2ACYP2C9CYP2C19CYP1A2MEN1
SCHEMBL5708543 0.80 ALDH1A1 (0.37) KMT2ACYP2C9CYP2C19CYP1A2MEN1
SCHEMBL5283318 0.77 KMT2A (0.40) KMT2ACYP2C9CYP2C19CYP1A2MEN1
SCHEMBL5279506 0.77 KMT2A (0.40) KMT2ACYP2C9CYP2C19CYP1A2MEN1
SCHEMBL4617247 0.76 ALDH1A1 (0.54) KMT2ACYP2C9CYP2C19CYP1A2MEN1
SCHEMBL4617250 0.76 ALDH1A1 (0.54) KMT2ACYP2C9CYP2C19CYP1A2MEN1
SCHEMBL5708469 0.75 RXFP1 (0.57) KMT2AMEN1
SCHEMBL4615745 0.70 GSK3B (0.47) KMT2ACYP2C9CYP2C19CYP1A2MEN1

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-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed