SCHEMBL6954299

SCHEMBL6954299

CCc1cc(NC(=O)N2CCN(c3ccsc3C)CC2)c(OC)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PI4KB Q9UBF8 2/20 0.39
P2RY12 Q9H244 1/20 0.39
FAAH O00519 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL6657804 0.90 SMN1; SMN2 (0.46) MAPTALDH1A1HPGDATMMEN1
SCHEMBL6965274 0.89 PI4KB (0.41) RBP4THRBKDM4EMAPTHSD17B10
SCHEMBL8705064 0.84 HTR1A (0.52) RBP4THRBKDM4EMAPTHSD17B10
SCHEMBL8699470 0.83 KMT2A (0.51) RBP4KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL8705983 0.83 MAPT (0.57) RBP4KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL8700940 0.83 RBP4 (0.61) RBP4KDM4EMAPTALDH1A1GAA
SCHEMBL8705260 0.83 RBP4 (0.55) RBP4KDM4EMAPTGAAP2RY12
SCHEMBL8704636 0.83 KMT2A (0.57) RBP4KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL8700061 0.83 MAPT (0.57) RBP4KDM4EMAPTALDH1A1GAA
SCHEMBL7139732 0.83 RBP4 (0.43) RBP4KDM4EMAPTHSD17B10ALDH1A1

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