SCHEMBL9769677

SCHEMBL9769677

CC#CCCOc1cc(N)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 2/20 0.35
PPOX P50336 1/20 0.34
DHFR P00374 1/20 0.33
SCN9A Q15858 4/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CSNK2A1 P68400 2/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8602249 0.84 NR1I2 (0.44) MAOANPC1GAAPPOXNR1I2
SCHEMBL29901582 0.84 NR1I2 (0.44) MAOANPC1GAAPPOXNR1I2
SCHEMBL8604315 0.81 CSNK2A1 (0.49) MAOANPC1GAAPPOXDHFR
SCHEMBL8599263 0.80 GLA (0.50) MAOANPC1GAAPPOXDHFR
SCHEMBL8879337 0.80 L3MBTL1 (0.48) MAOANPC1GAASMN1; SMN2MEN1
SCHEMBL17543904 0.79 HTR2C (0.44) MAOANPC1GLASMN1; SMN2CSNK2A1
SCHEMBL8602962 0.78 SMN1; SMN2 (0.46) MAOANPC1PPOXGLASMN1; SMN2
SCHEMBL8599602 0.77 PPOX (0.45) MAOANPC1GAAPPOXSMN1; SMN2
SCHEMBL17542912 0.77 MAOA (0.47) MAOAGAAALDH1A1MAPTMAPK1
SCHEMBL9684646 0.76 L3MBTL1 (0.39) MAOANPC1PPOXDHFRGLA

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-5068365-A Herbicides TOSOH CORPORATION (JP) 1991-11-26 US disclosed
EP-0326764-A2 Hexahydrophthalic anilide derivatives and herbicide compositions containing the same Tosoh Corporation (JP) 1989-08-09 EP disclosed