SCHEMBL9038894

SCHEMBL9038894

CCCN1NC(Cc2ccc(-c3ccccc3)c(-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c2)=C(C(=O)OC)C1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 2/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
ALOX15 P16050 1/20 0.30
RAB9A P51151 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL9055362 0.93 AGTR1 (0.40) AGTR1
SCHEMBL9056223 0.89 AGTR1 (0.43) AGTR1
SCHEMBL9042789 0.85 AGTR1 (0.40) AGTR1
SCHEMBL9039196 0.83 AGTR1 (0.37) AGTR1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL9041916 0.83 AGTR1 (0.37) AGTR1TSHR
SCHEMBL9041610 0.81 AGTR1 (0.40) AGTR1TSHRHPGDHSD17B10
SCHEMBL9042837 0.80 AGTR1 (0.41) AGTR1
SCHEMBL9039137 0.80 AGTR1 (0.44) AGTR1
SCHEMBL9041118 0.77 AGTR1 (0.39) AGTR1
SCHEMBL9055422 0.77 AGTR1 (0.39) AGTR1

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
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed