SCHEMBL10764415

SCHEMBL10764415

CC(O)(c1ccc(Cl)cc1)c1ccc(-n2ccnc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NOTUM Q6P988 1/20 0.45
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP19A1 P11511 9/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CD38 P28907 1/20 0.38

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
SCHEMBL9253861 0.80 CYP3A4 (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL30183188 0.74 SMN1; SMN2 (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10757760 0.73 CYP3A4 (0.55) KMT2ANOTUMCYP1A2CYP3A4CYP2D6
SCHEMBL10762515 0.73 NOTUM (0.47) KMT2ANOTUMCYP1A2CYP3A4CYP2D6
SCHEMBL4328936 0.69 MEN1 (0.75) KMT2AMEN1CYP19A1
SCHEMBL11627293 0.69 CYP19A1 (0.72) KMT2AMEN1CYP3A4CYP19A1
SCHEMBL24783686 0.69 CYP1A2 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL26402 0.69 MEN1 (1.00) KMT2AMEN1CYP19A1SMN1; SMN2
SCHEMBL8815628 0.69 GAA (0.50) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11955039 0.68 LOXL2 (0.43) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4661603-A ENZYME INHIBITORS; VASODILATORS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-04-28 — — US disclosed
EP-0110996-B1 IMIDAZOLE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-09-03 — — EP disclosed
US-4581369-A THROMBANE INHIBITORS, ANTICOAGULANTS, VASODILATORS, AND TREATMENT OF LIVER DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-04-08 — — US disclosed
EP-0110996-A1 IMIDAZOLE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1984-06-20 — — EP disclosed
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