SCHEMBL10696465

SCHEMBL10696465

N#Cc1nc(-c2ccccc2Cl)[nH]c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.49
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 8/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
GUSB P08236 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
DCUN1D1 Q96GG9 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL9220197 0.81 MEN1 (0.51) KDM4EGUSBGAATDP1LMNA
SCHEMBL11572709 0.81 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL10695059 0.81 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9AMGAM
SCHEMBL10697442 0.81 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL10695343 0.77 PARP1 (0.45) PTGESKDM4EALDH1A1GAAPARP1
SCHEMBL10695611 0.77 PARP1 (0.54) PTGESKDM4EALDH1A1NPC1RAB9A
SCHEMBL7074324 0.76 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AGAAPARP1
SCHEMBL9220607 0.76 CTSS (0.40) PTGESGAAPIM1CSNK2A2CSNK2B
SCHEMBL1221425 0.75 DYRK1A (0.43) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL10695576 0.73 ERBB2 (0.47) KDM4EALDH1A1NPC1RAB9AGUSB

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