SCHEMBL27712781

SCHEMBL27712781

O=C=C1Cc2ccccc2N1c1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A7 Q99884 1/20 0.33
NAMPT P43490 1/20 0.32
SCN9A Q15858 1/20 0.32
CYP11B2 P19099 1/20 0.30

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
SCHEMBL27712766 0.80 SRD5A1 (0.31)
SCHEMBL27693033 0.78 S100B (0.35) HPGD
SCHEMBL27693209 0.70 HSD17B10 (0.39) HPGDCHRM2CHRM4CHRM1SLC6A7
SCHEMBL20062932 0.69 SLC6A7 (0.35) SLC6A7SCN9A
SCHEMBL28770763 0.65 ROCK1 (0.55) HPGDCHRM2CHRM4CHRM1CHRM3
SCHEMBL9959879 0.65 HPGD (0.53) HPGD
SCHEMBL6024373 0.63 SMN1; SMN2 (0.47) HPGD
SCHEMBL2340654 0.62 HPGD (0.57) HPGD
SCHEMBL20071765 0.61 SLC6A7 (0.34) SLC6A7SCN9A
SCHEMBL8135114 0.60 NOTUM (0.34) HPGD

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
CN-101103019-A 2- (Cyclic aminocarbonyl) indoline derivative and pharmaceutical composition containing same DAINIPPON SUMITOMO PHARMA CO (JP) 2008-01-09 CN disclosed