SCHEMBL6965054

SCHEMBL6965054

COc1cc(C)c(C(C)=O)cc1NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.56
MAPT P10636 5/20 0.48
POLB P06746 2/20 0.47
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 4/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDGFRB P09619 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.45
MAPK1 P28482 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL6961035 0.90 RBP4 (0.49) RBP4MAPTPOLBGAAKMT2A
SCHEMBL6962355 0.89 MAPT (0.50) MAPTPOLBGAAKMT2ALMNA
SCHEMBL6967271 0.89 RBP4 (0.51) RBP4MAPTPOLBGAAKMT2A
SCHEMBL6960317 0.81 RBP4 (0.47) RBP4MAPTGAAKMT2ALMNA
SCHEMBL6776851 0.80 RBP4 (0.67) RBP4MAPTPOLBGAAKMT2A
SCHEMBL6959643 0.80 MAPT (0.51) MAPTPOLBGAAKMT2ALMNA
SCHEMBL6960605 0.79 RBP4 (0.54) RBP4MAPTPOLBGAAKMT2A
SCHEMBL6959670 0.79 RBP4 (0.69) RBP4MAPTPOLBGAAKMT2A
SCHEMBL6964180 0.79 KMT2A (0.55) MAPTPOLBGAAKMT2ALMNA
SCHEMBL6966493 0.78 RBP4 (0.56) RBP4MAPTPOLBGAAKMT2A

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