SCHEMBL11390102

SCHEMBL11390102

CCOC1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ AKR1B1 P15121 3/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ ADCY8 P40145 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PGR P06401 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
SCHEMBL11884053 0.86 AKR1B1 (0.46) MEN1KMT2AAKR1B1HTR7IDO1
SCHEMBL9539722 0.70 AKR1B1 (0.50) AKR1B1HTR7IDO1MAPTPGR
SCHEMBL21939397 0.69 AKR1B1 (0.41) MEN1KMT2AAKR1B1HTR7IDO1
SCHEMBL4594261 0.69 AKR1B1 (0.43) MEN1KMT2AAKR1B1HTR7IDO1
SCHEMBL11388713 0.68 MDM2 (0.46) MEN1KMT2AAKR1B1IDO1
SCHEMBL9539014 0.68 AKR1B1 (0.40) MEN1KMT2AAKR1B1HTR7IDO1
SCHEMBL9539047 0.68 AKR1B1 (0.48) AKR1B1HTR7IDO1MAPTCHRM1
SCHEMBL11882562 0.68 MDM2 (0.54) MEN1KMT2AAKR1B1IDO1
SCHEMBL9541565 0.66 AKR1B1 (0.51) MEN1KMT2AAKR1B1IDO1MAPT
SCHEMBL2467583 0.66 CYP46A1 (0.35) MEN1KMT2AAKR1B1IDO1MAPT

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
US-4258187-A REACTING 2-AMINO-BENZOPHENONE DERIVATIVES WITH A HYDROXYLAMINE SALT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 — — US disclosed
EP-0000149-A1 Process for preparing quinazolinone oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-01-10 — — EP disclosed
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