SCHEMBL8159575

SCHEMBL8159575

c1ccc(NC2NCCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CTSD P07339 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL18576158 0.73 TSHR (0.42) DDB1CRBNNFKB1NFKB2RELA
SCHEMBL4522442 0.73 JAK3 (0.36) DDB1CRBNNFKB1NFKB2RELA
SCHEMBL17674128 0.70 SLC6A2 (0.46) DDB1CRBNNFKB1NFKB2RELA
SCHEMBL5309238 0.70 DDB1 (0.42) DDB1CRBNALDH1A1MAPK1CYP1A2
SCHEMBL8304925 0.69 ADRA2A (0.51) ALDH1A1IDO1CYP3A4
SCHEMBL21409364 0.69 MAP2K1 (0.37) DDB1CRBNNFKB1NFKB2RELA
SCHEMBL2229850 0.69 POLB (0.44) DDB1CRBNALDH1A1SLC6A2
SCHEMBL8551724 0.68
SCHEMBL918020 0.68 HTR6 (0.49) ALDH1A1ALOX15ALOX12L3MBTL1LMNA
SCHEMBL9116182 0.67 DDB1 (0.37) DDB1CRBNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP disclosed
CN-1617857-A 2'-halo-3',5'-dialkoxyphen-1'-yl-imino-2-imidazolidine derivative and the use thereof as a drug for curing urinary incontinence BOEHRINGER INGELHEIM PHARMA (DE) 2005-05-18 CN disclosed
EP-0735877-B1 6-(2-IMIDAZOLINYLAMINO)QUINOXALINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2000-07-19 EP disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 EP disclosed
US-4250186-A ADMINISTERING A 2-(SUBSTITUTED PHENYL-IMINO)-IMIDAZOLIDINE COMPOUND BOEHRINGER INGELHEIM GMBH (DE) 1981-02-10 US disclosed