SCHEMBL11270482

SCHEMBL11270482

N#CC(NC=O)=C1NC(=N)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3144271 0.74 GAA (0.45) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL10632150 0.70 HPGD (0.44) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL23171281 0.70 HPGD (0.44) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL11207973 0.70 IDO1 (0.54) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL3139922 0.70 IDO1 (0.54) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL23171070 0.70 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL11207971 0.70 IDO1 (0.54) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL9149913 0.68 MEN1 (0.57) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL3143615 0.68 MEN1 (0.57) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL6301510 0.68 IDO1 (0.35) CYP1A2CYP3A4CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015570-B1 ISOINDOLIN PIGMENTS AND THEIR USE BASF Aktiengesellschaft (DE) 1982-12-22 EP disclosed
US-4356123-A YELLOW PIGMENT BASF AKTIENGESELLSCHAFT (DE) 1982-10-26 US disclosed
EP-0017214-B1 ISOINDOLINE DYESTUFFS AND THEIR UTILISATION BASF Aktiengesellschaft (DE) 1982-06-02 EP disclosed
EP-0017214-A1 Isoindoline dyestuffs and their utilisation BASF Aktiengesellschaft (DE) 1980-10-15 EP disclosed
EP-0015570-A1 Isoindolin pigments and their use BASF Aktiengesellschaft (DE) 1980-09-17 EP disclosed