SCHEMBL10448671

SCHEMBL10448671

C=C1Nc2c(ccc3ccccc23)S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2A6 P11509 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
HPRT1 P00492 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
NOX1 Q9Y5S8 2/20 0.36
HIF1A Q16665 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
SCHEMBL10448670 0.78 CYP2A6 (0.39) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL26797 0.76 NOX1 (0.55) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL29379406 0.76 NOX1 (0.55) ALDH1A1HSD17B10CYP2A6TDP1TSHR
Hydrochloric Acid SCHEMBL1133655 0.75 NOX1 (0.53) ALDH1A1HSD17B10CYP2A6TDP1TSHR
Hydrochloric Acid SCHEMBL20994584 0.75 NOX1 (0.53) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL18165216 0.75 MAPT (0.59) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL13873060 0.70 TDP1 (0.54) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL10876335 0.69 NOX1 (0.50) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL1796145 0.69 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL20444678 0.68 NOX1 (0.45) TDP1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379200-A2 Photopolymerizable composition MITSUBISHI KASEI CORPORATION (JP) 1990-07-25 EP claimed
US-20090092766-A1 GRAFT PATTERN FORMING METHOD AND CONDUCTIVE PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2009-04-09 US disclosed
WO-2007034616-A1 TWO-PHOTON-ABSORBING RECORDING MEDIUM, TWO-PHOTON-ABSORBING RECORDING/REPRODUCING METHOD, AND TWO-PHOTON-ABSORBING RECORDING/REPRODUCING APPARATUS FUJIFILM CORPORATION (JP) 2007-03-29 WO disclosed
EP-0379200-A2 Photopolymerizable composition MITSUBISHI KASEI CORPORATION (JP) 1990-07-25 EP disclosed
US-3943142-A Dye intermediates and their preparation and use in the synthesis of methine dyes EASTMAN KODAK COMPANY (US) 1976-03-09 US disclosed
US-3943142-A Dye intermediates and their preparation and use in the synthesis of methine dyes EASTMAN KODAK COMPANY (US) 1976-03-09 US disclosed