SCHEMBL2199292

SCHEMBL2199292

[O]c1c(Cl)ccc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 5/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 5/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.35
CASP7 P55210 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL1243989 0.80 CYP2A6 (0.60) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL687156 0.78 CYP2A6 (0.64) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5027727 0.77 CYP2A6 (0.61) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL27740071 0.77 CYP2A6 (0.61) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11973762 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11139742 0.75 MAPT (0.47) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11773669 0.75 CYP2A6 (0.43) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11328426 0.75 ALDH1A1 (0.46) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL3240223 0.75 CYP2A6 (0.52) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL3694889 0.75 ALDH1A1 (0.47) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1

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-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed