SCHEMBL21069207

SCHEMBL21069207

Cc1nn(C)c(F)c1C(=O)Nc1cc(F)c(F)cc1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.38
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
TNF P01375 1/20 0.37
IL2 P60568 1/20 0.37
PTGFR P43088 1/20 0.37
RIPK1 Q13546 1/20 0.37
WNT3A P56704 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL1134827 0.86 CHRM3 (0.46) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL29445384 0.86 CHRM3 (0.46) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4447577 0.82 HPGD (0.42) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1134839 0.81 CHRM3 (0.46) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4453566 0.80 CYP1A2 (0.48) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11930691 0.80 ALDH1A1 (0.57) MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL21981177 0.79 CYP1A2 (0.53) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL21069152 0.79 ATM (0.58) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL4453379 0.79 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL14781423 0.79 HTT (0.60) RAB9ANPC1SMN1; SMN2CYP1A2MAPT

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-20190191707-A1 COMPOSITIONS COMPRISING BACILLUS LICHENIFORMIS AND BACILLUS SUBTILIS AND METHODS OF USE FOR CONTROLLING FUNGAL PATHOGENS FMC CORP (US) 2019-06-27 US disclosed