SCHEMBL31034844

SCHEMBL31034844

O=[N+]([O-])c1cc(I)c2c(c1)CNCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.56
ADRA2A P08913 4/20 0.56
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
XDH P47989 1/20 0.39
CYP19A1 P11511 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
VCAM1 P19320 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2 P17301 1/20 0.35
MAPT P10636 1/20 0.33
NCOA1 Q15788 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL5874024 1.00 PNMT (0.56) PNMTADRA2ALMNAHTTMEN1
SCHEMBL6682373 0.91 PNMT (0.50) PNMTADRA2ALMNAHTTMEN1
SCHEMBL5435437 0.89 PNMT (0.50) PNMTADRA2ALMNAHTTMEN1
SCHEMBL31357961 0.88 PNMT (0.56) PNMTADRA2ALMNAHTTMEN1
SCHEMBL29310335 0.88 PNMT (0.56) PNMTADRA2ALMNAHTTMEN1
SCHEMBL6294929 0.83 PNMT (0.58) PNMTADRA2AMEN1KMT2ACYP19A1
SCHEMBL24773896 0.81 PNMT (0.56) PNMTADRA2ACYP19A1HTR2AHTR2C
SCHEMBL25031178 0.78 PNMT (0.52) PNMTADRA2ACYP19A1HTR2AHTR2C
SCHEMBL24774365 0.78 PNMT (0.52) PNMTADRA2ALMNAHTTCYP19A1
SCHEMBL31034861 0.78 PNMT (0.52) PNMTADRA2ACYP19A1HTR2AHTR2C

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-118434729-A Fused ring compounds as HPK1 inhibitors 微境生物医药科技(上海)有限公司 2024-08-02 CN disclosed