SCHEMBL10697442

SCHEMBL10697442

N#Cc1nc(-c2ccccc2F)[nH]c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 8/20 0.43
HPGD P15428 8/20 0.43
HSD17B10 Q99714 6/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
DCUN1D1 Q96GG9 2/20 0.42
MAPT P10636 3/20 0.42
PARP1 P09874 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL1221425 0.88 DYRK1A (0.43) ALDH1A1RAB9ANPC1PKML3MBTL1
SCHEMBL10695059 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1KDM4EHPGD
SCHEMBL10696465 0.81 PTGES (0.49) ALDH1A1RAB9ANPC1L3MBTL1KDM4E
SCHEMBL11572709 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1L3MBTL1KDM4E
SCHEMBL10695343 0.80 PARP1 (0.45) ALDH1A1KDM4EHPGDGAAPARP1
SCHEMBL10694425 0.77 PARP1 (0.54) ALDH1A1RAB9ANPC1PKML3MBTL1
SCHEMBL7074324 0.76 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1HPGDGAA
SCHEMBL10697336 0.73 ERBB2 (0.47) ALDH1A1RAB9ANPC1PKMKDM4E
SCHEMBL12075544 0.73 ALDH1A1 (0.42) ALDH1A1RAB9AGAAMEN1KMT2A
SCHEMBL10694148 0.72 MGAM (0.47) L3MBTL1KDM4EHPGDGAAMGAM

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
EP-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed