SCHEMBL7683202

SCHEMBL7683202

CCCNC(=O)c1nc(C)ccc1C(=O)Nc1cccc(SC)c1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
GAA P10253 3/20 0.57
KMT2A Q03164 2/20 0.43
TSHR P16473 4/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL7675174 0.84 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRNPSR1HPGD
SCHEMBL7466102 0.83 ALDH1A1 (0.50) ALDH1A1GAAKMT2ATSHRLMNA
SCHEMBL7681327 0.82 EPHX1 (0.58) ALDH1A1GAAKMT2ALMNAHPGD
SCHEMBL7677603 0.79 ALDH1A1 (0.42) ALDH1A1GAAKMT2ALMNAHPGD
SCHEMBL7683215 0.78 GAA (0.40) ALDH1A1GAAKMT2ALMNAHPGD
SCHEMBL7683185 0.77 ALDH1A1 (0.41) ALDH1A1GAAKMT2ALMNAHPGD
SCHEMBL7679306 0.77 ALDH1A1 (0.40) ALDH1A1GAAKMT2ANPSR1HPGD
SCHEMBL8664999 0.73 HTT (0.46) ALDH1A1GAAKMT2ALMNANPSR1
SCHEMBL7686045 0.72 HPGD (0.44) ALDH1A1KMT2ATSHRLMNANPSR1
SCHEMBL8667765 0.70 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMAPTKDM4E

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
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed