SCHEMBL6149893

SCHEMBL6149893

COc1cc(C)c(C(=O)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
RAF1 P04049 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.42
G6PD P11413 1/20 0.42
CRHBP P24387 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
SCHEMBL6150594 0.84 CES2 (0.48) LMNAALDH1A1KMT2AKDM4ENPC1
SCHEMBL6151039 0.83 VCAM1 (0.43) LMNAMAPTALDH1A1HPGDMAPK1
SCHEMBL6149592 0.83 LMNA (0.76) LMNAMAPTALDH1A1RAF1HPGD
SCHEMBL6149639 0.80 CXCL12 (0.49) LMNAMAPTALDH1A1HPGDMAPK1
SCHEMBL6151108 0.79 ALDH1A1 (0.45) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL6307594 0.79 CES2 (0.46) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL6150910 0.77 RORC (0.42) LMNAALDH1A1KMT2AKDM4ENPC1
SCHEMBL26353609 0.77 ALDH1A1 (0.47) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL14993397 0.77 PKM (0.51) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL8466332 0.76 RORC (0.42) LMNAMAPTALDH1A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727141-B1 Fungicidal methods, compounds and compositions containing benzophenones BASF AG (DE) 2005-11-02 EP disclosed
US-5922919-A Fungicidal methods, compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
US-5866722-A Fungicidal methods compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-02-02 US disclosed
US-5773663-A FOR CONTROL OF PHYTOPATHOGENIC FUNGI IN CROPS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP disclosed