SCHEMBL6966493

SCHEMBL6966493

COc1cc(OC)cc(N2CCN(C(=O)Nc3cc(C)c(C)cc3OC)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.56
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 3/20 0.49
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL6967271 0.90 RBP4 (0.51) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6960605 0.89 RBP4 (0.54) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6965253 0.88 RBP4 (0.49) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6956065 0.88 RBP4 (0.49) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6960606 0.88 KMT2A (0.56) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6960722 0.88 RBP4 (0.71) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6966587 0.87 RBP4 (0.52) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6783151 0.87 RBP4 (0.60) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6783848 0.85 KMT2A (0.63) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6959675 0.85 THRB (0.53) RBP4KMT2AGAAMAPTLMNA

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