SCHEMBL16161699

SCHEMBL16161699

O=C(O)Oc1cc(-c2cc(Cl)ccc2F)ncn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 9/20 0.52
▸ TGFBR1 P36897 7/20 0.39
▸ ACVR1B P36896 2/20 0.35
▸ ACVRL1 P37023 2/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ MET P08581 1/20 0.34

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
SCHEMBL16161618 0.83 MPL (0.42) KMO
SCHEMBL16971585 0.80 KMO (0.43) KMOTGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16161487 0.80 KMO (0.65) KMO
SCHEMBL16161617 0.79 KMO (0.63) KMO
SCHEMBL16161655 0.78 KMO (0.66) KMO
SCHEMBL1938162 0.78 KMO (0.81) KMOPTGER1
SCHEMBL16161491 0.77 KMO (0.62) KMO
SCHEMBL16161393 0.76 KMO (0.63) KMO
SCHEMBL16161504 0.75 KMO (0.59) KMO
SCHEMBL16971796 0.74 KMO (0.50) KMOTGFBR1HTR2B

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-2331095-B1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2014-10-15 — — EP claimed
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