SCHEMBL11198249

SCHEMBL11198249

Nc1snc2cc([N+](=O)[O-])sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL10400097 0.66 — —
SCHEMBL18357510 0.66 ALDH1A1 (0.44) ALDH1A1HPGDALOX15MAPTSMN1; SMN2
SCHEMBL217092 0.66 ALDH1A1 (0.44) ALDH1A1HPGDALOX15MAPTSMN1; SMN2
SCHEMBL11813443 0.64 ALDH1A1 (0.42) ALDH1A1HPGDALOX15MAPTSMN1; SMN2
SCHEMBL2964632 0.64 TXNRD1 (0.53) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL4213047 0.64 ALDH1A1 (0.34) ALDH1A1HPGDALOX15MAPTSMN1; SMN2
SCHEMBL11684263 0.64 TXNRD1 (0.50) ALDH1A1MAPTSMN1; SMN2TSHRTDP1
SCHEMBL11269447 0.62 MAPT (0.44) ALDH1A1HPGDALOX15MAPTSMN1; SMN2
SCHEMBL375929 0.62 — —
SCHEMBL2958257 0.62 XDH (0.45) ALDH1A1HPGDALOX15MAPTSMN1; SMN2

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-0083009-A1 Dispersion dyestuffs BASF Aktiengesellschaft (DE) 1983-07-06 — — EP disclosed
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