SCHEMBL30426169

SCHEMBL30426169

O=C(O)[C@@H]1Cc2c(n(Cc3ccc(F)cc3)c3ccccc23)CN1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.55
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ FABP4 P15090 2/20 0.47
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC10 Q969S8 2/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ TBXA2R P21731 4/20 0.44
▸ PTGDR Q13258 4/20 0.44
▸ PTGDR2 Q9Y5Y4 4/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL16742444 1.00 ENPP2 (0.55) ENPP2CA1CA2FABP4HDAC1
SCHEMBL16742442 1.00 ENPP2 (0.55) ENPP2CA1CA2FABP4HDAC1
Hydrochloric Acid SCHEMBL18044813 0.99 ENPP2 (0.54) ENPP2CA1CA2FABP4HDAC1
Hydrochloric Acid SCHEMBL18044814 0.99 ENPP2 (0.54) ENPP2CA1CA2FABP4HDAC1
SCHEMBL8381090 0.92 CA1 (0.49) ENPP2CA1CA2FABP4HDAC1
SCHEMBL11017941 0.92 CA1 (0.49) ENPP2CA1CA2FABP4HDAC1
SCHEMBL16750316 0.89 ENPP2 (0.50) ENPP2CA1CA2FABP4HDAC1
SCHEMBL18044817 0.87 ENPP2 (0.51) ENPP2FABP4HDAC1HDAC6HDAC10
SCHEMBL18070807 0.86 ENPP2 (0.42) ENPP2FABP4TBXA2RPTGDR2
Hydrochloric Acid SCHEMBL18044819 0.85 ENPP2 (0.41) ENPP2FABP4TBXA2RPTGDR2

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
CN-116059203-A Autotaxin inhibitors and uses thereof 赛博治疗有限责任公司 2023-05-05 — — CN disclosed
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