SCHEMBL8944623

SCHEMBL8944623

COCc1nc2ccccc2n1Cc1ccc(-c2ccccc2)c(C(=O)NS(C)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.49
PPARG P37231 6/20 0.48
AGTR2 P50052 5/20 0.47
AGTR1 P30556 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL8396648 0.89 PPARG (0.60) MEN1TSHRKMT2ANPSR1LMNA
SCHEMBL8391959 0.81 PPARG (0.59) MEN1TSHRKMT2ANPSR1LMNA
SCHEMBL9042725 0.79 MEN1 (0.53) MEN1TSHRKMT2ANPSR1LMNA
SCHEMBL8393379 0.79 PPARG (0.76) MEN1TSHRKMT2ANPSR1LMNA
SCHEMBL8393393 0.79 PPARG (0.56) MEN1TSHRKMT2ANPSR1LMNA
SCHEMBL8395681 0.77 PPARG (0.76) PPARGAGTR2AGTR1
SCHEMBL8396220 0.76 AGTR1 (0.77) PPARGAGTR2AGTR1
SCHEMBL8396783 0.75 PPARG (0.78) PPARGAGTR2AGTR1
SCHEMBL8392509 0.74 PPARG (0.60) PPARGAGTR2AGTR1
SCHEMBL9043566 0.74 AGTR2 (0.51) MEN1TSHRKMT2ANPSR1LMNA

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-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed