SCHEMBL30733593

SCHEMBL30733593

CC(=O)NCCc1c[nH]c2c([N+](=O)[O-])cc(F)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.72
MTNR1B P49286 15/20 0.72
NQO2 P16083 5/20 0.72
NOTUM Q6P988 3/20 0.57
HTR2B P41595 2/20 0.47
CYP1A2 P05177 3/20 0.46
BLM P54132 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.46
SPR P35270 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL25383376 1.00 MTNR1A (0.72) MTNR1AMTNR1BNQO2NOTUMHTR2B
SCHEMBL17108188 0.84 MTNR1A (1.00) MTNR1AMTNR1BNQO2NOTUMHTR2B
SCHEMBL30580934 0.81 MTNR1A (0.65) MTNR1AMTNR1BNQO2NOTUMCYP1A2
SCHEMBL25001237 0.81 MTNR1A (0.65) MTNR1AMTNR1BNQO2NOTUMCYP1A2
SCHEMBL25382304 0.79 MPO (0.48) MTNR1AMTNR1BNQO2MAPTNPSR1
SCHEMBL29799298 0.79 MPO (0.48) MTNR1AMTNR1BNQO2MAPTNPSR1
SCHEMBL25384058 0.77 MTNR1A (0.57) MTNR1AMTNR1BNQO2NOTUMHTR2B
SCHEMBL29799305 0.77 MTNR1A (0.57) MTNR1AMTNR1BNQO2NOTUMHTR2B
SCHEMBL31543652 0.74 CYP1A2 (0.61) MTNR1AMTNR1BNQO2NOTUMHTR2B
SCHEMBL25001887 0.74 MTNR1A (0.56) MTNR1AMTNR1BNQO2NOTUMCYP1A2

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-117222622-A Polysubstituted galectin derivative and use method thereof 恩维瑞克生物科学加拿大公司 2023-12-12 CN disclosed