SCHEMBL27366136

SCHEMBL27366136

Cc1[nH]nc(-c2ccccc2)c1S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.50
CHEK1 O14757 2/20 0.50
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 2/20 0.47
MAPK10 P53779 2/20 0.47
ALPL P05186 1/20 0.47
IDO1 P14902 1/20 0.47
TTK P33981 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL11622606 0.79 AKT2 (0.53) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL11192094 0.78 AKT2 (0.68) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL2875179 0.76 AKT2 (0.50) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL2376086 0.76 AKT2 (0.50) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL1754742 0.76 ALDH1A1 (0.63) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL2374553 0.76 AKT2 (0.50) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL1827957 0.73 AKT2 (0.47) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL17055639 0.73 PDE4A (0.48) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL18557562 0.73 AKT2 (0.47) AKT2CHEK1KMT2AALDH1A1KDM4E
SCHEMBL4382163 0.72 RAB9A (0.49) AKT2CHEK1KMT2AALDH1A1KDM4E

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
CN-1054421-A 3- (substituted phenyl) pyrazole derivatives, salts thereof, herbicides prepared therefrom and process for preparing said derivatives or salts NIHON NOHYAKU CO LTD (JP) 1991-09-11 CN disclosed