SCHEMBL9308911

SCHEMBL9308911

CCCCc1nc(C)nc(NN)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
ACHE P22303 1/20 0.41
AGTR1 P30556 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AGTR2 P50052 1/20 0.36

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
SCHEMBL9308565 0.94 PPARG (0.45) PPARGAGTR1
SCHEMBL9309739 0.90 PPARG (0.39) PPARGACHEALDH1A1HPGDKDM4E
SCHEMBL9846031 0.87 PPARG (0.43) PPARGACHEAGTR1HPGDKDM4E
SCHEMBL9309290 0.86 PPARG (0.46) PPARGACHEAGTR1AGTR2
SCHEMBL9846004 0.85 PPARG (0.44) PPARGACHEAGTR1
SCHEMBL9308844 0.85 PPARG (0.45) PPARGACHEAGTR1AGTR2
SCHEMBL9846018 0.84 ACHE (0.44) PPARGACHEAGTR1AGTR2
SCHEMBL9308512 0.84 PPARG (0.45) PPARGACHEAGTR1ALDH1A1HPGD
SCHEMBL9308516 0.83 PPARG (0.44) PPARGACHEAGTR1ALDH1A1HPGD
SCHEMBL9846045 0.83 ACHE (0.43) PPARGACHEAGTR1ALDH1A1HPGD

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
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed
US-5217973-A Treatment of cardiovascular diseases such as hypertension, cardiac insufficiency and diseases of the arterial walls LABORATOIRES UPSA (FR) 1993-06-08 US disclosed