SCHEMBL7634673

SCHEMBL7634673

Cc1cccc2c3ccccc3c3ccccc3c12.N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.44
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
ESR2 Q92731 2/20 0.37
PARP1 P09874 1/20 0.37
KIF11 P52732 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
PABPC1 P11940 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
CES1 P23141 1/20 0.33

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
SCHEMBL1629253 1.00 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2343892 0.86 CYP1A2 (0.58) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL30363673 0.86 CYP1A2 (0.58) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
Phosphine SCHEMBL9058835 0.84 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL9824699 0.81 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29712917 0.81 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL109503 0.78 CYP2A6 (0.74) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL27624574 0.78 CYP2A6 (0.74) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
O-Xylene SCHEMBL31425598 0.78 TSHR (0.62) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
O-Xylene SCHEMBL163751 0.78 TSHR (0.62) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10

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-6414091-B2 BLEND OF POLYPHENYLENE ETHER AND POLYSILOXANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-07-02 US disclosed
US-20010014723-A1 Thermoplastic resin, process for producing same and theroplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-16 US disclosed