SCHEMBL9805952

SCHEMBL9805952

O=C(c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
MAPK1 P28482 1/20 1.00
SRD5A2 P31213 2/20 0.70
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA12 O43570 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
CES1 P23141 2/20 0.65
CES2 O00748 1/20 0.65
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 2/20 0.60
ALOX5 P09917 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL16690235 0.96 POLB (0.93) POLBMAPK1SRD5A2CA1CA2
SCHEMBL28914440 0.92 MAPK1 (0.85) POLBMAPK1SRD5A2CA1CA2
SCHEMBL28847269 0.91 POLB (0.83) POLBMAPK1SRD5A2CA1CA2
SCHEMBL229627 0.90 POLB (0.82) POLBMAPK1SRD5A2CA1CA2
Benzophenone SCHEMBL28231509 0.90 POLB (0.82) POLBMAPK1SRD5A2CA1CA2
Bicarbonate SCHEMBL27560425 0.89 POLB (0.79) POLBMAPK1SRD5A2CA1CA2
Phosphine SCHEMBL28037976 0.89 POLB (0.79) POLBMAPK1SRD5A2CA1CA2
Methane SCHEMBL29286698 0.89 POLB (0.79) POLBMAPK1SRD5A2CA1CA2
Methane SCHEMBL27439754 0.89 POLB (0.79) POLBMAPK1SRD5A2CA1CA2
Bicarbonate SCHEMBL28244785 0.89 POLB (0.79) POLBMAPK1SRD5A2CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269041-B1 FUNGICIDAL CYCLOHEXYLAMINES BASF Aktiengesellschaft (DE) 1991-04-10 EP disclosed
US-4968676-A PLANTS, SOILS, SEEDS BASF AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
US-4897425-A Fungicidal cyclohexylamines BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
EP-0269041-A2 Fungicidal cyclohexylamines BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed