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Sugi Predict / Compounds / SCHEMBL18752118

SCHEMBL18752118

SCHEMBL18752118

Cc1ccc(C(=O)NC2(c3ccc4[nH]ccc4n3)CC2)cc1-c1ccc2oc(-c3ccc(F)cc3)c(C=O)c2c1F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 6/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ CYP3A4 P08684 5/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ IDO1 P14902 3/20 0.32
▸ MAOB P27338 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL140027 0.89 CYP2C8 (0.72) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL12330699 0.83 CYP2C8 (0.62) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL19401316 0.79 CYP2C8 (0.68) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL19401443 0.79 CYP2C8 (0.67) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL18751636 0.76 CYP2C8 (0.59) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL12330955 0.76 CYP2C8 (0.59) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL141259 0.75 CYP2C8 (0.72) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL143635 0.75 CYP2C8 (0.72) CYP2C8KCNH2CYP3A4NR1I2IDO1
SCHEMBL121622 0.75 CYP2C8 (0.79) CYP2C8KCNH2CYP3A4NR1I2MAPK14
SCHEMBL146279 0.74 CYP2C8 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545051-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-04-19 — — EP disclosed