SCHEMBL9308631

SCHEMBL9308631

CCCc1nc(C)nc(NN)c1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
XDH P47989 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 2/20 0.36
GRM5 P41594 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CTSK P43235 1/20 0.34
DGAT1 O75907 1/20 0.34
WNT3A P56704 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 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
SCHEMBL9308565 0.88 PPARG (0.45) PPARG
SCHEMBL9308911 0.82 PPARG (0.41) ALDH1A1HPGDSMN1; SMN2PPARGNPSR1
SCHEMBL9309739 0.80 PPARG (0.39) XDHALDH1A1HPGDHTTPPARG
SCHEMBL9310316 0.79 ALDH1A1 (0.31) ALDH1A1HPGDHTTSMN1; SMN2NPSR1
SCHEMBL9311134 0.79 AGTR1 (0.35)
SCHEMBL9308512 0.78 PPARG (0.45) ALDH1A1HPGDHTTSMN1; SMN2PPARG
SCHEMBL9309497 0.77 CYP1A2 (0.46) CYP19A1XDHALDH1A1PPARGGRM5
SCHEMBL9308516 0.77 PPARG (0.44) ALDH1A1HPGDHTTSMN1; SMN2PPARG
SCHEMBL9308971 0.76 CYP19A1 (0.39) CYP19A1
SCHEMBL9308652 0.76 PPARG (0.43) ALDH1A1HPGDHTTSMN1; SMN2PPARG

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