SCHEMBL10695611

SCHEMBL10695611

N#Cc1[nH]c(-c2ccccc2Cl)nc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.54
SLC9A1 P19634 3/20 0.48
IKBKB O14920 1/20 0.46
PTGES O14684 4/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GUSB P08236 1/20 0.42
CHEK2 O96017 1/20 0.41
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL10697288 0.84 MEN1 (0.48) PARP1SLC9A1KDM4EGPR55GUSB
SCHEMBL10694425 0.84 PARP1 (0.54) PARP1SLC9A1NPC1ALDH1A1RAB9A
SCHEMBL10694398 0.84 SLC9A1 (0.54) PARP1SLC9A1IKBKBNPC1ALDH1A1
SCHEMBL10695586 0.81 PARP1 (0.57) PARP1SLC9A1
SCHEMBL10694623 0.78 PARP1 (0.51) PARP1IKBKBCHEK2
SCHEMBL10697405 0.77 CHEK2 (0.43) PARP1CHEK2
SCHEMBL10696465 0.77 PTGES (0.49) PARP1PTGESKDM4ENPC1ALDH1A1
SCHEMBL10695152 0.76 PARP1 (0.57) PARP1SLC9A1IKBKBMGAMGAA
Valine SCHEMBL10695541 0.74 SLC9A1 (0.45) PARP1SLC9A1PTGESNPC1ALDH1A1
SCHEMBL10694134 0.73 PARP1 (0.50) PARP1KDM4ENPC1ALDH1A1RAB9A

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