SCHEMBL7220858

SCHEMBL7220858

N#CCc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIN1 Q13526 2/20 0.42
CYP19A1 P11511 3/20 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
SCHEMBL10410594 0.90 POLB (0.53) SGMS2MEN1KMT2AMAPTALDH1A1
SCHEMBL23628998 0.83 MAOB (0.51) SGMS2MEN1KMT2AMAPTPOLB
SCHEMBL5067716 0.82 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9274816 0.82 PIN1 (0.48) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL648410 0.82 CTSV (0.49) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL650225 0.82 POLB (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1731251 0.82 PIN1 (0.48) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL8967901 0.82 ALDH1A1 (0.52) SGMS2MEN1KMT2AMAPTALDH1A1
SCHEMBL3916553 0.82 MEN1 (0.53) SGMS2MEN1KMT2AMAPTALDH1A1
SCHEMBL29805068 0.82 ALDH1A1 (0.52) SGMS2MEN1KMT2AMAPTALDH1A1

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
US-6596734-B1 Method for stimulating, regulating and modulating metabolism of fats in adipose tissue in mammals, comprising administering to a mammal an effective amount of a beta 3- adrenoreceptor agonist MOLECULAR DESIGN INTERNATIONAL, INC. 2003-07-22 US disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed