SCHEMBL6961035

SCHEMBL6961035

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.49
MAPT P10636 7/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6965054 0.90 RBP4 (0.56) RBP4MAPTLMNAPOLBTP53
SCHEMBL6967271 0.90 RBP4 (0.51) RBP4MAPTLMNAPOLBTP53
SCHEMBL6960605 0.90 RBP4 (0.54) RBP4MAPTLMNAPOLBTP53
SCHEMBL6959643 0.89 MAPT (0.51) MAPTLMNAPOLBKMT2ASMN1; SMN2
SCHEMBL6965257 0.83 RBP4 (0.47) RBP4MAPTLMNAPOLBTP53
SCHEMBL6960712 0.83 RBP4 (0.47) RBP4MAPTLMNAPOLBTP53
SCHEMBL6782052 0.81 RBP4 (0.58) RBP4MAPTLMNAPOLBTP53
SCHEMBL6960822 0.81 KMT2A (0.42) RBP4MAPTLMNAPOLBTP53
SCHEMBL6962355 0.80 MAPT (0.50) MAPTLMNAPOLBKMT2AMAPK1
SCHEMBL6964180 0.80 KMT2A (0.55) MAPTLMNAPOLBKMT2ASMN1; SMN2

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