SCHEMBL28113645

SCHEMBL28113645

[CH2]Cc1nn(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 2/20 0.42
DAO P14920 1/20 0.41
ALDH1A1 P00352 4/20 0.41
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.39
RAD51 Q06609 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 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
SCHEMBL7656600 0.75 ALDH1A1 (0.49) KMT2ADAOALDH1A1IDO1MEN1
SCHEMBL28113124 0.75 HPGD (0.41) HTR2CHTR2BKMT2ADAOALDH1A1
SCHEMBL15563837 0.74 GRIA1 (0.49) KMT2ADAOALDH1A1MEN1ADORA3
SCHEMBL15563887 0.74 DAO (0.49) KMT2ADAOALDH1A1MEN1ADORA3
SCHEMBL7833852 0.74 HPGD (0.53) KMT2ADAOALDH1A1MEN1HPGD
SCHEMBL2824781 0.74 PPARG (0.50) KMT2AALDH1A1MEN1PPARGPPARD
SCHEMBL30928935 0.73 ALDH1A1 (0.57) KMT2ADAOALDH1A1IDO1MEN1
SCHEMBL29195764 0.73 LMNA (0.50) KMT2ADAOALDH1A1MEN1MAPT
SCHEMBL30020048 0.70 HSD17B10 (0.54) DAOALDH1A1IDO1PPARGHPGD
SCHEMBL15564226 0.70 CNR1 (0.56) HTR2CKMT2ADAOALDH1A1HPGD

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-106304835-A Sgc stimulant 铁木医药有限公司 2017-01-04 CN disclosed