SCHEMBL6964825

SCHEMBL6964825

COc1nc(C)c(C(C)O)cc1NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.45
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 6/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PHGDH O43175 2/20 0.40
PANK3 Q9H999 2/20 0.40
PDGFRB P09619 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6960387 0.91 KMT2A (0.39) RBP4GAAKMT2AMAPTTP53
SCHEMBL6955682 0.90 KMT2A (0.45) RBP4GAAKMT2AMAPTTP53
SCHEMBL6960140 0.89 MAPT (0.41) RBP4GAAKMT2AMAPTTP53
SCHEMBL8702969 0.86 RBP4 (0.49) RBP4GAAKMT2AMAPTTP53
SCHEMBL6953333 0.85 GAA (0.47) RBP4GAAKMT2AMAPTTP53
SCHEMBL8088095 0.84 KMT2A (0.40) RBP4GAAKMT2AMAPTTP53
SCHEMBL6960317 0.84 RBP4 (0.47) RBP4GAAKMT2AMAPTTP53
SCHEMBL8699435 0.84 RBP4 (0.49) RBP4GAAKMT2AMAPTTP53
SCHEMBL8699422 0.83 PANK3 (0.57) RBP4GAAKMT2AMAPTTP53
SCHEMBL6955171 0.82 MAPT (0.56) RBP4GAAKMT2AMAPTALDH1A1

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