SCHEMBL8907871

SCHEMBL8907871

CCCCc1nc2ccc(-c3nc4cc(C(F)(F)F)ccc4n3CCCC)cc2n1-c1ccc(-c2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
EDNRA P25101 1/20 0.41
DHODH Q02127 1/20 0.41
AGTR1 P30556 2/20 0.40
PPARG P37231 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PIN1 Q13526 2/20 0.39
AGTR2 P50052 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL8905537 0.89 DHODH (0.43) KDM4ETDP1DHODHAGTR1PPARG
SCHEMBL8905885 0.88 TP53 (0.47) AGTR1PPARGAGTR2
SCHEMBL8907873 0.86 AGTR1 (0.46) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL8906713 0.83 AGTR1 (0.45) KDM4EAGTR1PPARGAGTR2
SCHEMBL8905585 0.82 PPARG (0.43) KDM4EEDNRAAGTR1PPARGAGTR2
SCHEMBL8906709 0.81 PPARG (0.42) KDM4EEDNRADHODHAGTR1PPARG
SCHEMBL8906832 0.80 AGTR1 (0.43) AGTR1PPARGAGTR2
SCHEMBL8905963 0.80 AGTR1 (0.41) AGTR1PPARGAGTR2
SCHEMBL8905974 0.79 PPARG (0.45) KDM4EDHODHAGTR1PPARGAGTR2
SCHEMBL8788720 0.79 AGTR1 (0.65) AGTR1PPARGAGTR2

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