Sugi Predict

Sugi Predict / Compounds / SCHEMBL9039196

SCHEMBL9039196

SCHEMBL9039196

COC(=O)C1=C(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)NN(CC(F)(F)F)C1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.37
▸ CNR2 P34972 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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 0.90 AGTR1 (0.40) AGTR1
SCHEMBL9056223 0.89 AGTR1 (0.43) AGTR1
SCHEMBL9041916 0.87 AGTR1 (0.37) AGTR1TSHRMAPT
SCHEMBL9044189 0.84 AGTR1 (0.38) AGTR1MAPTSMN1; SMN2
SCHEMBL9056236 0.84 AGTR1 (0.38) AGTR1CNR2MAPTSMN1; SMN2
SCHEMBL9038894 0.83 AGTR1 (0.36) AGTR1CNR2TSHRMAPK1L3MBTL1
SCHEMBL9042789 0.83 AGTR1 (0.40) AGTR1
SCHEMBL9057420 0.82 AGTR1 (0.47) AGTR1
SCHEMBL9039137 0.80 AGTR1 (0.44) AGTR1
SCHEMBL9039202 0.79 AGTR1 (0.38) AGTR1MAPTSMN1; SMN2

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 2 patents. 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
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 — — WO disclosed