SCHEMBL9080400

SCHEMBL9080400

COc1ccc(-c2c[nH]c(C(F)(F)F)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
PDGFRB P09619 1/20 0.46
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 4/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL23410559 0.80 KDM4E (0.44) KDM4EPDGFRBALDH1A1SMN1; SMN2KMT2A
SCHEMBL8575476 0.78 MAPT (0.50) KDM4EPDGFRBALDH1A1SMN1; SMN2HPGD
SCHEMBL22122468 0.78 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL11771726 0.76 KDM4E (0.50) KDM4EPDGFRBALDH1A1SMN1; SMN2HPGD
SCHEMBL12735602 0.76 PDGFRB (0.50) KDM4EPDGFRBALDH1A1SMN1; SMN2HPGD
SCHEMBL7488038 0.75 PTGS2 (0.52)
SCHEMBL6598963 0.75 PDGFRB (0.49) KDM4EPDGFRBALDH1A1SMN1; SMN2HPGD
SCHEMBL8508679 0.75 PDGFRB (0.49) KDM4EPDGFRBALDH1A1SMN1; SMN2TP53
SCHEMBL1853061 0.75 NPC1 (0.53) KDM4EPDGFRBALDH1A1SMN1; SMN2KMT2A
SCHEMBL9050978 0.74 KIF11 (0.47) NPC1RAB9AGAA

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
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed