SCHEMBL28113124

SCHEMBL28113124

N=C(N)c1nn(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
DAO P14920 1/20 0.40
POLB P06746 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDO2 P48775 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL15563887 0.75 DAO (0.49) HPGDALDH1A1SMN1; SMN2PKMDAO
SCHEMBL28113645 0.75 HTR2C (0.43) HPGDALDH1A1CYP3A4SMN1; SMN2PKM
SCHEMBL7656600 0.73 ALDH1A1 (0.49) ALDH1A1CYP3A4SMN1; SMN2DAOPOLB
SCHEMBL10330274 0.73 PTGER1 (0.49) POLBKDM4EMEN1KMT2A
SCHEMBL15563837 0.72 GRIA1 (0.49) HPGDALDH1A1CYP3A4SMN1; SMN2PKM
SCHEMBL7833852 0.72 HPGD (0.53) HPGDALDH1A1DAOPOLBKDM4E
SCHEMBL28113599 0.72 HPGD (0.41) HPGDALDH1A1CYP3A4SMN1; SMN2PKM
SCHEMBL30928935 0.71 ALDH1A1 (0.57) HPGDALDH1A1CYP3A4SMN1; SMN2PKM
SCHEMBL17610952 0.71 HTR2A (0.42) CYP3A4SMN1; SMN2KDM4EHTR2CMALT1
SCHEMBL15075338 0.70 SMN1; SMN2 (0.38) HPGDSMN1; SMN2POLBKDM4EMEN1

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