SCHEMBL8502188

SCHEMBL8502188

C=CCOc1ccc(C(=O)c2c(Cl)cc(Cl)cc2Cl)cc1Cn1ncccc1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PDE4B Q07343 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ PTGER1 P34995 6/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ PTGDR Q13258 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL8503797 0.87 MAPK1 (0.44) IDO1PTGER1NPC1RAB9AKMT2A
SCHEMBL8505614 0.85 NLRP3 (0.41) PDE4BIDO1PTGER1KDM4EMAPK1
SCHEMBL8505812 0.85 ADRB2 (0.42) GAAIDO1KDM4EMEN1KMT2A
SCHEMBL8504729 0.82 IDO1 (0.41) GAATSHRIDO1KDM4ERAB9A
SCHEMBL8502514 0.80 IDO1 (0.40) IDO1KDM4EMEN1KMT2ADOT1L
SCHEMBL8502112 0.80 IDO1 (0.40) TSHRIDO1KDM4EDOT1LSMN1; SMN2
SCHEMBL8506457 0.79 IDO1 (0.39) GAAIDO1KDM4ENPC1RAB9A
SCHEMBL8503177 0.78 POLB (0.38) GAAIDO1PTGER1MEN1KMT2A
SCHEMBL8504781 0.78 MAPK1 (0.39) GAAIDO1KDM4ENPC1RAB9A
SCHEMBL8502190 0.75 GAA (0.38) GAATSHRPDE4BPTGER1KDM4E

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-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
Send feedback