SCHEMBL9770931

SCHEMBL9770931

CCOC(=O)c1cc(NC(=S)N2CCCC=N2)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.37
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL9770953 0.84 HPGD (0.36) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL9770873 0.79 KMT2A (0.33) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL9764390 0.78 ALDH1A1 (0.44) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL9770973 0.77 PPOX (0.36) MAPTHPGDALDH1A1KMT2AGAA
SCHEMBL9770943 0.77 CYP4F2 (0.41) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL25047377 0.75 ALDH1A1 (0.57) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL10992090 0.74 KMT2A (0.45) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL27691074 0.74 MAPT (0.49) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL4681898 0.71 MAPT (0.51) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL10919784 0.71 CCR1 (0.43) MAPTLMNAHPGDSMN1; SMN2ALDH1A1

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed