SCHEMBL8933994

SCHEMBL8933994

CCOc1cc(C=C2SCN(C)C2=O)cc(CSc2ccccc2)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.61
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ERBB2 P04626 2/20 0.43
PTP4A3 O75365 1/20 0.41
PPARG P37231 1/20 0.40
IGF1R P08069 1/20 0.39
GAA P10253 5/20 0.39
POLB P06746 4/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL8957270 1.00 EGFR (0.61) EGFRMEN1KMT2AERBB2PTP4A3
SCHEMBL7805259 0.91 EGFR (0.60) EGFRMEN1KMT2AERBB2PTP4A3
SCHEMBL7805261 0.91 EGFR (0.60) EGFRMEN1KMT2AERBB2PTP4A3
SCHEMBL9472266 0.80 EGFR (0.67) EGFRMEN1KMT2AIGF1RGAA
SCHEMBL9472275 0.80 EGFR (0.67) EGFRMEN1KMT2AIGF1RGAA
SCHEMBL8991940 0.78 GAA (0.40) EGFRMEN1KMT2APTP4A3PPARG
SCHEMBL8933490 0.78 GAA (0.40) EGFRMEN1KMT2APTP4A3PPARG
SCHEMBL9471772 0.78 EGFR (0.66) EGFRMEN1KMT2AERBB2ALDH1A1
SCHEMBL29429743 0.76 EGFR (1.00) EGFRMEN1KMT2AERBB2IGF1R
SCHEMBL8957287 0.74 CYP1A2 (0.50) MEN1KMT2AIGF1RGAAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8040897-A None JP disclosed
JP-H0840897-A PHARMACEUTICAL COMPOSITION FOR INHIBITING BONE LOSS ELI LILLY & CO 1996-02-13 JP disclosed
EP-0691129-A2 Thiazolidone and pyrrolidinone compounds for inhibiting bone loss ELI LILLY AND COMPANY (US) 1996-01-10 EP disclosed