SCHEMBL9192703

SCHEMBL9192703

CCI.Cc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.49
▸ UBE2T Q9NPD8 1/20 0.47
▸ ASIC3 Q9UHC3 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ADRA2B P18089 1/20 0.46

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
Iodomethane SCHEMBL4047719 0.90 SMN1; SMN2 (0.50) FBP1UBE2TASIC3L3MBTL1TDP1
SCHEMBL55837 0.90 SMN1; SMN2 (0.54) FBP1UBE2TASIC3L3MBTL1TDP1
Alcohol SCHEMBL28124562 0.89 HSD17B10 (0.54) FBP1UBE2TASIC3L3MBTL1TDP1
Iodide SCHEMBL4618865 0.88 SMN1; SMN2 (0.52) FBP1UBE2TASIC3L3MBTL1TDP1
Water SCHEMBL28902586 0.88 SMN1; SMN2 (0.52) FBP1UBE2TASIC3L3MBTL1TDP1
SCHEMBL30074811 0.88 SMN1; SMN2 (0.52) FBP1UBE2TASIC3L3MBTL1TDP1
SCHEMBL2148044 0.88 SMN1; SMN2 (0.52) FBP1UBE2TASIC3L3MBTL1TDP1
Bromide SCHEMBL887893 0.88 SMN1; SMN2 (0.52) FBP1UBE2TASIC3L3MBTL1TDP1
Hydrochloric Acid SCHEMBL7776250 0.88 SMN1; SMN2 (0.52) FBP1UBE2TASIC3L3MBTL1TDP1
SCHEMBL10665140 0.88 SMN1; SMN2 (0.52) FBP1UBE2TASIC3L3MBTL1TDP1

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
US-3951654-A CHARGE TRANSPORT SENSITIZER XEROX CORPORATION (US) 1976-04-20 — — US claimed
EP-0383092-B1 Chromogenic merocyanine enzyme substrates BAYER AG (US) 1995-12-13 — — EP disclosed
US-5191073-A Indicators for colorimetric analysis of enzymes MILES INC. (US) 1993-03-02 — — US disclosed
US-5122602-A Optical indicators; medical diagnosis; quantitative analysis; immunoassay MILES INC. (US) 1992-06-16 — — US disclosed
EP-0383092-A2 Chromogenic merocyanine enzyme substrates Bayer Corporation (US) 1990-08-22 — — EP disclosed
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