SCHEMBL9469367

SCHEMBL9469367

Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Nc1ccc(-c2ccc(N)c(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CYP3A4 P08684 5/20 0.41
TSHR P16473 5/20 0.41
ALDH1A1 P00352 4/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
AHR P35869 5/20 0.39
TP53 P04637 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
SCHEMBL5071450 0.82 ALDH1A1 (0.54) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL142135 0.82 GAA (0.75) GAACYP3A4TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL8641891 0.79 GAA (0.71) GAACYP3A4TSHRALDH1A1NPC1
SCHEMBL18215158 0.77 CYP3A4 (0.71) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL64092 0.71 GAA (1.00) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL526351 0.71 ALDH1A1 (0.50) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL12775035 0.70 GAA (0.55) GAACYP3A4TSHRALDH1A1THRB
Sulfuric Acid SCHEMBL8642518 0.70 ALDH1A1 (0.55) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL9973085 0.70 CD44 (0.62) GAACYP3A4TSHRALDH1A1NPC1
SCHEMBL31607649 0.70 ALDH1A1 (0.59) GAACYP3A4TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243032-A PREPARATION OF AZO PIGMENTS WITH LOW PCB CONTENT BY COUPLING IN THE PRESENCE OF OLEFINS HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-07 US disclosed