SCHEMBL9510619

SCHEMBL9510619

O=[N+]([O-])c1ccc(Cl)cc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
PDE7A Q13946 3/20 0.48
PDE7B Q9NP56 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KIF18A Q8NI77 1/20 0.47

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
SCHEMBL2131688 0.84 MEN1 (0.54) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL1275610 0.82 CYP1A2 (0.56) MEN1KMT2ACYP3A4HIF1ATSHR
SCHEMBL22898034 0.82 MEN1 (0.47) MEN1KMT2ACYP3A4HPGDTSHR
SCHEMBL3513523 0.81 SNCA (0.54) KMT2ATSHRMAPK1ALDH1A1MAPT
SCHEMBL27570737 0.81 ALOX5 (0.53) MEN1KMT2ATSHRALDH1A1
SCHEMBL13120858 0.80 MEN1 (0.50) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL10774333 0.80 CYP3A4 (0.44) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL29274282 0.80 NPC1 (0.61) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL40607 0.79 ALDH1A1 (0.60) MEN1KMT2AHPGDHSD17B10TSHR
SCHEMBL1750770 0.79 PKM (0.58) MEN1KMT2ATSHRMAPK1NPC1

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-0268849-B1 Poly(aminoaromatic) compounds DOW CHEMICAL CO (US) 1993-10-20 EP disclosed
US-5079275-A Polyamino compound is an amino endcapped polyether, polyester, polycarbonate, resole, hydroxybutadiene THE DOW CHEMICAL COMPANY (US) 1992-01-07 US disclosed
US-4847416-A Capping of polyols with aromatic amines THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
EP-0268849-A2 Poly(aminoaromatic) compounds THE DOW CHEMICAL COMPANY (US) 1988-06-01 EP disclosed