SCHEMBL7785017

SCHEMBL7785017

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
MAPKAPK2 P49137 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CXCR2 P25025 4/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL7780576 0.89 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7795354 0.89 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7802013 0.89 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2THRA
Hydrochloric Acid SCHEMBL7802211 0.89 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2THRA
Hydrochloric Acid SCHEMBL7795396 0.89 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2THRA
Hydrochloric Acid SCHEMBL7801297 0.89 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7801958 0.88 MEN1 (0.39) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7789041 0.87 KMT2A (0.36) MEN1KMT2APOLBMAPKAPK2MAPT
SCHEMBL7802163 0.85 CXCR2 (0.39) MEN1KMT2ACXCR2MAPTGAA
SCHEMBL7801234 0.84 THRA (0.36) MEN1KMT2APOLBTHRATHRB

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed