SCHEMBL3226691

SCHEMBL3226691

Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.51
KCNH2 Q12809 1/20 0.50
EGFR P00533 1/20 0.48
ERBB3 P21860 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
P4HTM Q9NXG6 2/20 0.47
CDK2 P24941 1/20 0.47
MET P08581 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46

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
SCHEMBL13456856 0.84 EGFR (0.57) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL3222813 0.84 EGFR (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL3231560 0.83 KCNQ3 (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL13456800 0.82 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL3221284 0.79 S1PR1 (0.63) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL3228067 0.79 EGFR (0.58) RAB9ANPC1GAAEGFRERBB3
SCHEMBL3222525 0.79 EGFR (0.73) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL3225985 0.79 EGFR (0.61) RAB9ANPC1EGFRERBB3MEN1
SCHEMBL18146523 0.79 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL14284200 0.78 MMP13 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed