SCHEMBL8318170

SCHEMBL8318170

CNC(=O)Nc1cc(OC)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.47
F10 P00742 1/20 0.46
IKBKB O14920 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 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
SCHEMBL1703738 0.83 RAB9A (0.51) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL7360829 0.83 HTT (0.54) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL3044578 0.83 KMT2A (0.53) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL14338700 0.82 MAPT (0.68) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL30076369 0.79 ALDH1A1 (0.47) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL1234368 0.79 ALDH1A1 (0.47) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL14350894 0.79 ALDH1A1 (0.69) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL23507149 0.78 ALDH1A1 (0.45) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL1007579 0.77 KMT2A (0.45) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL31515782 0.77 KMT2A (0.45) ALDH1A1RAB9AHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 US disclosed
EP-0745595-A1 3-(3-Aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed