SCHEMBL6966587

SCHEMBL6966587

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.52
LMNA P02545 4/20 0.48
POLB P06746 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 3/20 0.48
USP2 O75604 2/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
MAPT P10636 8/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6960605 0.88 RBP4 (0.54) RBP4LMNAPOLBHSD17B10TP53
SCHEMBL6966493 0.87 RBP4 (0.56) RBP4LMNAPOLBHSD17B10TP53
SCHEMBL6782920 0.86 KMT2A (0.53) LMNAPOLBMAPTKDM4EGAA
SCHEMBL6781384 0.85 RBP4 (0.57) RBP4LMNAPOLBHSD17B10TP53
SCHEMBL6960722 0.84 RBP4 (0.71) RBP4LMNAPOLBHSD17B10TP53
SCHEMBL6964765 0.84 MAPT (0.47) LMNAPOLBHSD17B10TP53MAPT
SCHEMBL6896916 0.84 ALDH1A1 (0.40) RBP4LMNAPOLBHSD17B10TP53
SCHEMBL8699252 0.82 MAPT (0.44) RBP4LMNAPOLBHSD17B10TP53
SCHEMBL6961780 0.81 RBP4 (0.48) RBP4LMNAPOLBHSD17B10TP53
SCHEMBL6967465 0.81 RBP4 (0.52) RBP4LMNAPOLBHSD17B10TP53

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