SCHEMBL6961765

SCHEMBL6961765

COc1cc(C)c(C)cc1NC(=S)N1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
POLB P06746 3/20 0.58
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PKM P14618 1/20 0.54
NPC1 O15118 1/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.51
PHGDH O43175 1/20 0.49

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
SCHEMBL6780561 0.89 MEN1 (0.73) MEN1KMT2APOLBGAAMAPT
SCHEMBL6776598 0.88 MEN1 (0.57) MEN1KMT2APOLBGAAMAPT
SCHEMBL6780980 0.88 KDM4E (0.61) MEN1KMT2APOLBGAAMAPT
SCHEMBL6962601 0.87 RBP4 (0.57) MEN1KMT2APOLBGAAMAPT
SCHEMBL6783848 0.84 KMT2A (0.63) MEN1KMT2APOLBGAAMAPT
SCHEMBL6782760 0.84 CYP3A4 (0.66) MEN1KMT2APOLBGAAMAPT
SCHEMBL6953207 0.83 LMNA (0.52) MEN1KMT2APOLBGAAMAPT
SCHEMBL6786898 0.82 CYP3A4 (0.55) MEN1KMT2APOLBGAAMAPT
SCHEMBL6958288 0.81 KMT2A (0.78) MEN1KMT2APOLBGAAMAPT
SCHEMBL6782920 0.81 KMT2A (0.53) MEN1KMT2APOLBGAAMAPT

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 4 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
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed