SCHEMBL6962599

SCHEMBL6962599

CCc1cc(NC(=O)N2CCN(c3c(C)c(C)cc(C)c3C)CC2)c(OC)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
P2RY12 Q9H244 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.38
RBP4 P02753 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 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
SCHEMBL6968075 0.89 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL8703286 0.89 MAPT (0.46) KMT2AP2RY12ALDH1A1KDM4EHSD17B10
SCHEMBL8703804 0.86 KMT2A (0.46) KMT2AP2RY12ALDH1A1KDM4ERBP4
SCHEMBL8705088 0.85 HSD17B10 (0.48) KMT2AP2RY12ALDH1A1KDM4EHSD17B10
SCHEMBL8704719 0.85 TSHR (0.42) KMT2AP2RY12ALDH1A1KDM4EHSD17B10
SCHEMBL8699402 0.85 KMT2A (0.49) KMT2AP2RY12ALDH1A1KDM4EHSD17B10
SCHEMBL6956284 0.84 RBP4 (0.43) KMT2AP2RY12ALDH1A1KDM4EHSD17B10
SCHEMBL8700061 0.84 MAPT (0.57) KMT2AALDH1A1KDM4ETSHRRBP4
SCHEMBL8705064 0.84 HTR1A (0.52) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL8703929 0.83 RBP4 (0.47) KMT2AALDH1A1KDM4EHSD17B10TSHR

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed