SCHEMBL11026487

SCHEMBL11026487

CN(SN(C)C(=O)OCc1cccc([N+](=O)[O-])c1)C(=O)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.47
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.43
PYCR1 P32322 1/20 0.42
TSHR P16473 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL11025887 0.85 ALDH1A1 (0.52) HTTMAPTMAOBRAB9AALDH1A1
SCHEMBL11024148 0.82 MMP1 (0.49) HTTMAPTMAOBMAOARAB9A
SCHEMBL11022546 0.81 HCAR2 (0.47) HTTMAOBMAOALMNAALDH1A1
SCHEMBL10483159 0.80 MAOB (0.43) HTTMAPTMAOBMAOALMNA
SCHEMBL11024878 0.80 ALDH1A1 (0.49) MAPTLMNAKMT2AALDH1A1TSHR
SCHEMBL11029530 0.76 MAOB (0.45) HTTMAOBRAB9AKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11632213 0.76 RAB9A (0.61) HTTMAPTMAOBMAOALMNA
SCHEMBL3719794 0.76 MAOB (0.63) HTTMAPTMAOBMAOALMNA
SCHEMBL7203836 0.75 RAB9A (0.60) HTTMAPTMAOBMAOALMNA
SCHEMBL2569626 0.75 CYP1A2 (0.55) MAPTMAOBMAOALMNARAB9A

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
US-4479002-A CHEMICAL INTERMEDIATES FOR INSECTICIDES, PESTICIDES UNION CARBIDE CORPORATION (US) 1984-10-23 US disclosed