SCHEMBL9808657

SCHEMBL9808657

CC(=O)Nc1ccccc1N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ POLB P06746 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAOA P21397 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ NEU3 Q9UQ49 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL9133028 0.82 ALDH1A1 (0.57) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL38651149 0.82 ALDH1A1 (0.57) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL9165239 0.78 ALDH1A1 (0.57) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL10718047 0.77 L3MBTL1 (0.50) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL20246785 0.77 ALDH1A1 (0.55) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL4886582 0.76 ALDH1A1 (0.41) ALDH1A1HPGDPOLBMAPK1SMN1; SMN2
SCHEMBL6689158 0.74 ALDH1A1 (0.74) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL28834477 0.74 ALDH1A1 (0.52) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL14033994 0.73 ALDH1A1 (0.45) ALDH1A1HPGDPOLBSMN1; SMN2MAOA
SCHEMBL27973104 0.72 MAPT (0.66) ALDH1A1HPGDPOLBCYP2C19MAPK1

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-0426112-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1991-05-08 — — EP disclosed
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