SCHEMBL2875733

SCHEMBL2875733

Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)[C@H](O)[C@H]3OC(=O)NCCc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
EGFR P00533 1/20 0.35
CDK2 P24941 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KCNA5 P22460 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2878332 0.92 TAAR1 (0.46) TAAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL3595204 0.84 CYP3A4 (0.36) KMT2AMEN1KDM4ECYP3A4CYP2C19
SCHEMBL2009715 0.84 CYP3A4 (0.36) KMT2AMEN1KDM4ECYP3A4CYP2C19
SCHEMBL2875735 0.81 ABCC9 (0.33) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2875833 0.79 ABCC9 (0.37) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2875832 0.79 ABCC9 (0.37) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL12580755 0.77 GRM2 (0.36) KDM4ECYP3A4CYP2C19HIF1A
SCHEMBL2008357 0.76 ABCC9 (0.39) KMT2AMEN1KDM4ELMNACYP3A4
SCHEMBL2878901 0.76 ABCC9 (0.39) KMT2AMEN1KDM4ELMNACYP3A4
SCHEMBL2887474 0.75 KDM4E (0.36) TAAR1ALDH1A1KDM4ECYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed