SCHEMBL10979424

SCHEMBL10979424

COc1ccccc1N(C)C=Cc1sc2ccccc2[n+]1C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ PKM P14618 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ INSR P06213 4/20 0.39
▸ POLB P06746 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ ADRB2 P07550 2/20 0.35
▸ ADRB1 P08588 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
SCHEMBL10979422 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL10979673 0.87 INSR (0.49) SMN1; SMN2INSRPOLBMAPTHTT
SCHEMBL10979641 0.87 INSR (0.49) SMN1; SMN2INSRPOLBMAPTHTT
SCHEMBL10974237 0.84 INSR (0.46) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL10974234 0.84 INSR (0.46) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL10977269 0.80 ADRB2 (0.48) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL10977272 0.80 ADRB2 (0.48) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL5477938 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL1402286 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL3766308 0.72 ADRB2 (0.71) ALDH1A1SMN1; SMN2PKMKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050558-A2 Photographic emulsions and elements capable of forming direct-positive images EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-04-28 — — EP claimed
EP-0050558-B1 PHOTOGRAPHIC EMULSIONS AND ELEMENTS CAPABLE OF FORMING DIRECT-POSITIVE IMAGES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-07-17 — — EP disclosed
EP-0050558-A2 Photographic emulsions and elements capable of forming direct-positive images EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-04-28 — — EP disclosed
US-4306016-A HETEROCYCLIC CYANINE DYE-LIKE NUCLEATING AGENTS EASTMAN KODAK COMPANY (US) 1981-12-15 — — US disclosed
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