SCHEMBL7087722

SCHEMBL7087722

COC(=O)c1ccc([N+](=O)[O-])c(C(Br)Br)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.55
AR P10275 1/20 0.47
PELP1 Q8IZL8 1/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
LMNA P02545 2/20 0.45
ERN1 O75460 1/20 0.45
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 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
SCHEMBL4125942 0.85 VCAM1 (0.55) VCAM1ARPELP1KMT2AALDH1A1
SCHEMBL29625012 0.85 VCAM1 (0.55) VCAM1ARPELP1KMT2AALDH1A1
SCHEMBL4433135 0.84 VCAM1 (0.53) VCAM1ARPELP1KMT2AALDH1A1
SCHEMBL4446049 0.84 VCAM1 (0.53) VCAM1ARPELP1KMT2AALDH1A1
SCHEMBL18394225 0.81 CASP6 (0.64) LMNA
SCHEMBL18148190 0.81 VCAM1 (0.57) VCAM1ARPELP1KMT2AALDH1A1
SCHEMBL5734347 0.81 VCAM1 (0.68) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL31450151 0.80 VCAM1 (0.58) VCAM1ARPELP1KMT2AALDH1A1
SCHEMBL18862780 0.80 VCAM1 (0.58) VCAM1ARPELP1KMT2AALDH1A1
SCHEMBL2876988 0.79 VCAM1 (0.55) VCAM1ARPELP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878192-B1 Treating protozoal infections ALLEGHENY UNIVERSITY OF THE HE (US) 2003-07-23 EP disclosed
US-6500405-B1 EVALUATING THE SENSITIVITY OF A TEST CELL POPULATION TO AN ANTITUBULIN COMPOUND COMPRISING INCUBATING CELLS OR CELL EXTRACTS WITH AN AMIDE PROBE IN THE PRESENCE AND ABSENCE OF AN ANTITUBULIN TEST COMPOUND DOW AGROSCIENCES LLC 2002-12-31 US disclosed
EP-0816328-B1 Process for the manufacture of acetonylbenzamides DOW AGROSCIENCES LLC (US) 2002-03-27 EP disclosed
US-6140362-A INHIBITING MAMMALIAN CELL GROWTH IN BENIGN OR MALIGNANT TUMORS COMPRISING TREATING SAID CELLS WITH AN EFFECTIVE AMOUNT OF A N-ACETONYLARYLAMIDES COMPOUND ROHM AND HAAS COMPANY (US) 2000-10-31 US disclosed
US-6107316-A USING AN HETEROCYCLIC AMIDE COMPOUND ROHM AND HAAS COMPANY (US) 2000-08-22 US disclosed
EP-0843018-B1 Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM & HAAS (US) 2000-07-05 EP disclosed
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5981435-A APPLYING TO THE LOCUS OF THE ALGAE AN ALGICIDALLY EFFECTIVE AMOUNT OF N-ACETONYLARYLAMIDE DERIVATIVES ROHM AND HAAS COMPANY (US) 1999-11-09 US disclosed
US-5969200-A CHLORINATING PARA-TOLUOYL CHLORIDE IN PRESENCE OF CHLORINE GAS AND ALUMINUM CHLORIDE OR ANTIMONY CHLORIDE CATALYST, DISTILLING MIXTURE PRODUCED TO RECOVER 3,5-DICHLORO-4-METHYLBENZOYL CHLORIDE ROHM AND HAAS COMPANY (US) 1999-10-19 US disclosed
US-5945565-A SYNTHESIS OF 4-AMINO-3-CHLORO-5-(METHOXYIMINOMETHYL)BENZOYL CHLORIDE STARTING WITH THE CONVERSION OF 5-METHYL-4-NITRO-BENZOIC ACID TO 4-NITRO-5-(METHOXYIMINOMETHYL)-BENZOIC ACID, METHYL ESTER ROHM AND HAAS COMPANY (US) 1999-08-31 US disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
US-5874466-A REACTING AMINE AND ACYL CHLORIDE, HYDROGENOLYSIS ROHM AND HAAS COMPANY (US) 1999-02-23 US disclosed
EP-0880893-A1 Method for controlling algae ROHM AND HAAS COMPANY (US) 1998-12-02 EP disclosed
EP-0878192-A2 Method for treating protozoal infections Allegheny University of The Health Sciences (US) 1998-11-18 EP disclosed
EP-0843018-A1 Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM AND HAAS COMPANY (US) 1998-05-20 EP disclosed
EP-0834311-A1 Method for inhibiting the growth of mammalian cells ROHM AND HAAS COMPANY (US) 1998-04-08 EP disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed
EP-0816328-A2 Process for the manufacture of acetonylbenzamides ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed