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Sugi Predict / Compounds / SCHEMBL2369802

SCHEMBL2369802

SCHEMBL2369802

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N(c4ncccn4)C4CC4)cc(F)c3C)c(F)c12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 6/20 0.57
▸ KCNH2 Q12809 3/20 0.57
▸ CYP3A4 P08684 7/20 0.45
▸ NR1I2 O75469 1/20 0.43
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37

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
SCHEMBL19385902 0.93 CYP2C8 (0.55) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL1918883 0.91 CYP2C8 (0.68) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL19385785 0.87 CYP2C8 (0.51) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2437994 0.86 CYP2C8 (0.47) CYP2C8KCNH2CYP3A4NR1I2CYP2C9
SCHEMBL19385809 0.86 CYP2C8 (0.66) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2370889 0.85 CYP2C8 (0.61) CYP2C8KCNH2CYP3A4NR1I2CYP2C9
SCHEMBL2369759 0.85 CYP2C8 (0.59) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2369880 0.85 CYP2C8 (0.60) CYP2C8KCNH2CYP3A4NR1I2CYP2C9
SCHEMBL2370074 0.84 CYP2C8 (0.62) CYP2C8KCNH2CYP3A4NR1I2CYP2C9
SCHEMBL19385792 0.84 CYP2C8 (0.66) 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