SCHEMBL9310316

SCHEMBL9310316

CCCc1nc(C)nc(NN)c1Cc1ccc(-c2sccc2C#N)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9308253 0.85 PPARG (0.31) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL9309562 0.85 PPARG (0.33)
SCHEMBL9308565 0.83 PPARG (0.45)
SCHEMBL9308631 0.79 CYP19A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2NPSR1
SCHEMBL9308911 0.77 PPARG (0.41) ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL9309739 0.74 PPARG (0.39) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL9308512 0.73 PPARG (0.45) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9311423 0.72 AGTR1 (0.39)
SCHEMBL9308516 0.72 PPARG (0.44) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9256047 0.72 PRKAB2 (0.30)

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-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed