SCHEMBL10695790

SCHEMBL10695790

N#Cc1[nH]c(-c2cccc([N+](=O)[O-])c2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.48
GUSB P08236 1/20 0.47
MMP13 P45452 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CDC7 O00311 1/20 0.46
GRK6 P43250 1/20 0.46
PARP1 P09874 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HCRTR1 O43613 1/20 0.44

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
SCHEMBL10695090 0.85 PARP1 (0.55) MAPTHTTSMN1; SMN2RAB9AGUSB
SCHEMBL11472075 0.83 MAPT (0.54) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10696460 0.82 MAPT (0.55) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10695152 0.81 PARP1 (0.57) PARP1PIN1
SCHEMBL10697513 0.81 PIN1 (0.55) CDC7GRK6PARP1PIN1
SCHEMBL10696406 0.81 PIN1 (0.45) SMN1; SMN2CDC7PARP1ALDH1A1PIN1
SCHEMBL10697507 0.78 PARP1 (0.60) MEN1KMT2AHTTL3MBTL1CDC7
SCHEMBL30823383 0.75 PARP1 (0.78) PARP1
SCHEMBL10697405 0.74 CHEK2 (0.43) PARP1PIN1
SCHEMBL10695803 0.72 CHEK2 (0.47) MEN1KMT2ASMN1; SMN2RAB9ALMNA

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 2 patents. 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
EP-0261976-A2 Process for the preparation of copolyesters which show anisotropy when molten POLYPLASTICS CO. LTD. (JP) 1988-03-30 EP disclosed