SCHEMBL8906556

SCHEMBL8906556

CCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1-c1cccc(-c2ccccc2C#N)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 4/20 0.41
PKM P14618 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A9 P48067 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.38

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
SCHEMBL8906837 0.89 ALDH1A1 (0.44) PPARGRAB9AALDH1A1NPC1KDM4E
SCHEMBL8906960 0.82 PPARG (0.51) PPARGALDH1A1KDM4EHSD17B10ABCC3
SCHEMBL8906550 0.81 ALDH1A1 (0.41) PPARGRAB9AALDH1A1NPC1KDM4E
SCHEMBL8789971 0.80 PPARG (0.65) PPARGRAB9AALDH1A1KDM4EHSD17B10
SCHEMBL8905630 0.80 KDM4E (0.39) PPARGRAB9AALDH1A1NPC1KDM4E
SCHEMBL8905710 0.76 PPARG (0.57) PPARGALDH1A1KDM4EHSD17B10ABCC3
SCHEMBL9094539 0.75 PPARG (0.77) PPARGALDH1A1KDM4EHSD17B10ABCC3
SCHEMBL8905159 0.75 F2 (0.38) PPARGALDH1A1KDM4ESLC6A9SMN1; SMN2
SCHEMBL8906716 0.75 AGTR1 (0.53) PPARGALDH1A1KDM4EHSD17B10ABCC3
SCHEMBL8905808 0.74 ALDH1A1 (0.39) PPARGRAB9AALDH1A1NPC1KDM4E

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed