SCHEMBL21069152

SCHEMBL21069152

Cc1nn(C)cc1C(=O)Nc1cc(F)c(F)cc1-c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
NAMPT P43490 1/20 0.48
EGFR P00533 1/20 0.48
GAA P10253 5/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CNR2 P34972 1/20 0.42
KMT2A Q03164 2/20 0.42
SSTR2 P30874 1/20 0.41
ALPL P05186 1/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL29445412 0.86 ATM (0.61) ATMNAMPTEGFRGAARAB9A
SCHEMBL1134835 0.86 ATM (0.61) ATMNAMPTEGFRGAARAB9A
SCHEMBL4920642 0.82 ATM (0.59) ATMNAMPTEGFRGAARAB9A
SCHEMBL4456087 0.82 ATM (0.59) ATMNAMPTEGFRGAARAB9A
SCHEMBL1134833 0.81 ATM (0.60) ATMNAMPTEGFRGAARAB9A
SCHEMBL4450127 0.80 ATM (0.57) ATMNAMPTEGFRGAARAB9A
SCHEMBL21069207 0.79 RAB9A (0.43) GAARAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL16017238 0.79 ATM (0.49) ATMGAARAB9ASMN1; SMN2NPC1
SCHEMBL12867987 0.79 ATM (0.58) ATMNAMPTEGFRGAARAB9A
SCHEMBL12393705 0.78 ATM (0.62) ATMNAMPTEGFRGAARAB9A

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