SCHEMBL9599309

SCHEMBL9599309

O=C(O)Cc1cc([N+](=O)[O-])cc(O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GPR35 Q9HC97 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TTR P02766 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6037267 0.79 CYP1A2 (0.73) CYP1A2CA1CA2GPR35MAPT
SCHEMBL4686532 0.78 CYP1A2 (0.66) CYP1A2GPR35MEN1KMT2AALDH1A1
SCHEMBL4236872 0.78 CYP1A2 (0.66) CYP1A2GPR35MEN1KMT2AALDH1A1
SCHEMBL13834333 0.78 GPR35 (0.59) CYP1A2CA1CA2GPR35MEN1
SCHEMBL8463416 0.75 CYP1A2 (0.53) CYP1A2CA1CA2MEN1KMT2A
SCHEMBL2518122 0.75 AKR1B1 (0.58) CYP1A2GPR35MEN1MAPTKMT2A
SCHEMBL8464434 0.75 CYP1A2 (0.53) CYP1A2CA1CA2MEN1KMT2A
SCHEMBL6292292 0.74 CYP1A2 (0.75) CYP1A2GPR35MEN1MAPTKMT2A
SCHEMBL8820382 0.73 ALDH1A1 (0.58) CYP1A2GPR35MEN1MAPTKMT2A
SCHEMBL28017843 0.73 CYP1A2 (0.51) CYP1A2GPR35MEN1MAPTKMT2A

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-5232684-A For detecting capsaicin receptors in a subject THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-08-03 US disclosed