SCHEMBL11289301

SCHEMBL11289301

C=C(Nc1ccccc1OC)c1sc2ccccc2[n+]1C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.44

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
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ MAPT P10636 2/20 0.37

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
SCHEMBL10977269 0.77 ADRB2 (0.48) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL10977272 0.77 ADRB2 (0.48) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL316151 0.71 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL10659126 0.69 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL10979422 0.69 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL10979424 0.69 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL159888 0.67 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL1402286 0.67 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL11664183 0.66 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL7256881 0.66 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HPGDKDM4EPKM

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 1 patent. 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 disclosed
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