SCHEMBL10967271

SCHEMBL10967271

CC(=O)Nc1ccc(NC(=S)CC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
NR1I2 O75469 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL8626883 0.82 CA12 (0.63) TP53ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11030758 0.82 CYP1A2 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL21847252 0.79 ALDH1A1 (0.62) TP53ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10968014 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2782599 0.78 HSD17B10 (0.50) TP53ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14584391 0.78 SMN1; SMN2 (0.57) TP53ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10966745 0.78 HPGD (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL10477897 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL549173 0.75 KMT2A (0.63) TP53ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8481546 0.75 KIF11 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US disclosed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed