SCHEMBL19906299

SCHEMBL19906299

Cc1ccc(-c2c(CC(=O)O)c(C)cc3nc(-c4ccc5c(n4)c(-c4cccnc4)nn5C)sc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
GFER P55789 2/20 0.44
ALDH1A1 P00352 5/20 0.42
PPARD Q03181 2/20 0.38
LMNA P02545 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL19905916 0.83 KDM4E (0.40) KDM4EGFERALDH1A1LMNAMAPT
SCHEMBL19906351 0.80 PTGDR2 (0.41) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL15332356 0.77 CYP3A4 (0.38) MEN1KMT2A
SCHEMBL15526337 0.77 CYP3A4 (0.38) MEN1KMT2A
SCHEMBL19906365 0.76 NAMPT (0.38) KDM4EALDH1A1HTTHPGDPOLB
SCHEMBL15342297 0.75 PSD (0.34) MEN1KMT2AKIT
SCHEMBL19906174 0.75 NAMPT (0.36) KDM4EGFERALDH1A1HPGDMEN1
SCHEMBL19906033 0.75 KDM4E (0.37) KDM4EGFERALDH1A1KMT2A
SCHEMBL17547120 0.74 KDM4E (0.37) KDM4EALDH1A1MAPTHTTHPGD
SCHEMBL19906162 0.74 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTHPGD

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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed