SCHEMBL6965257

SCHEMBL6965257

C=Cc1cc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(OC)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.47
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL6956065 0.91 RBP4 (0.49) RBP4LMNAPOLBTP53USP2
SCHEMBL6960605 0.88 RBP4 (0.54) RBP4LMNAPOLBTP53USP2
SCHEMBL6960712 0.83 RBP4 (0.47) RBP4LMNAPOLBTP53USP2
SCHEMBL6961035 0.83 RBP4 (0.49) RBP4LMNAPOLBTP53USP2
SCHEMBL6960191 0.82 UCHL3 (0.41) RBP4LMNAPOLBTP53USP2
SCHEMBL6782052 0.79 RBP4 (0.58) RBP4LMNAPOLBTP53USP2
SCHEMBL6966493 0.78 RBP4 (0.56) RBP4LMNAPOLBTP53USP2
SCHEMBL6966587 0.77 RBP4 (0.52) RBP4LMNAPOLBTP53USP2
SCHEMBL6960722 0.75 RBP4 (0.71) RBP4LMNAPOLBTP53USP2
SCHEMBL6965802 0.74 KMT2A (0.41) RBP4LMNAPOLBTP53USP2

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