Sugi Predict

Sugi Predict / Compounds / SCHEMBL2370177

SCHEMBL2370177

SCHEMBL2370177

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N(c4ncc(F)cn4)C4CC4)c(OC)cc3C)c(F)c12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 6/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ CYP3A4 P08684 5/20 0.37
▸ NR1I2 O75469 1/20 0.36

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
SCHEMBL2370213 0.96 CYP2C8 (0.48) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL1919083 0.95 CYP2C8 (0.54) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2415965 0.92 CYP2C8 (0.47) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2370428 0.92 CYP2C8 (0.49) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL19385782 0.90 CYP2C8 (0.52) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2369857 0.89 CYP3A4 (0.48) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2369888 0.89 CYP2C8 (0.48) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL19385806 0.89 CYP2C8 (0.52) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL19385703 0.89 CYP2C8 (0.52) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2369823 0.88 CYP2C8 (0.47) CYP2C8KCNH2CYP3A4NR1I2

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-2545042-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 — — EP disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 — — WO disclosed