SCHEMBL10959896

SCHEMBL10959896

CSCC(=O)Nc1ccc(-n2nnnc2S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 6/20 0.52
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL10955666 0.88 SMN1; SMN2 (0.51) KMT2AATMMEN1ALDH1A1CYP1A2
SCHEMBL10955847 0.85 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL14498635 0.83 TP53 (0.51) KMT2AATMMEN1ALDH1A1CYP1A2
SCHEMBL1250300 0.81 KMT2A (0.53) KMT2AATMMEN1ALDH1A1CYP1A2
SCHEMBL8045268 0.80 MAPT (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9769987 0.79 PSMB11 (0.51) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9769992 0.79 PSMB11 (0.51) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2892873 0.79 ALDH1A1 (0.45) KMT2AATMMEN1ALDH1A1CYP1A2
SCHEMBL5688069 0.78 PEPD (0.43) KMT2AATMMEN1ALDH1A1SMN1; SMN2
SCHEMBL14032670 0.78 SMN1; SMN2 (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053851-B1 NOVEL ANTIFOGGING COMPOUNDS AND THEIR USE IN SILVER HALIDE PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1985-05-29 EP disclosed
US-4451555-A 1-PHENYL-5-MERCAPTOTETRAZOLES AGFA-GEVAERT, N.V. (BE) 1984-05-29 US disclosed
EP-0053851-A1 Novel antifogging compounds and their use in silver halide photography AGFA-GEVAERT N.V. (BE) 1982-06-16 EP disclosed