SCHEMBL22791244

SCHEMBL22791244

CC(C)Cn1nc(C(N)=O)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CFD P00746 2/20 0.34
▸ LDHA P00338 1/20 0.34
▸ LDHB P07195 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ PDE9A O76083 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ ICMT O60725 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ IDH1 O75874 1/20 0.33

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
SCHEMBL22776589 0.91 PTGER4 (0.41) PTGER4L3MBTL1LDHALDHBALOX5AP
SCHEMBL22791384 0.89 PTGER4 (0.38) PTGER4KDM4EALDH1A1SMN1; SMN2RPS6KB1
SCHEMBL22776720 0.88 PTGER4 (0.37) PTGER4L3MBTL1KDM4EPDE9ARORC
SCHEMBL22791390 0.85 KDM4E (0.35) PTGER4L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22776650 0.81 PTGER4 (0.53) PTGER4RORC
SCHEMBL22776648 0.81 PTGER4 (0.53) PTGER4RORC
SCHEMBL29614504 0.81 PTGER4 (0.53) PTGER4RORC
SCHEMBL29614485 0.79 PTGER4 (0.44) PTGER4RORC
SCHEMBL22776540 0.79 PTGER4 (0.42) PTGER4KDM4EALDH1A1LDHALDHB
SCHEMBL29614541 0.78 PTGER4 (0.51) PTGER4

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-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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