SCHEMBL8505614

SCHEMBL8505614

CCCOc1ccc(C(=O)c2c(Cl)cc(Cl)cc2Cl)cc1Cn1ncccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.41
▸ GCGR P47871 2/20 0.40
▸ GIPR P48546 2/20 0.40
▸ MAPK1 P28482 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35

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 0.92 MAPK1 (0.44) MAPK1MAPK10SMN1; SMN2PTGER1IDO1
SCHEMBL8505812 0.88 ADRB2 (0.42) NLRP3MAPK1KDM4EIDO1USP2
SCHEMBL8502188 0.85 GAA (0.38) MAPK1MAPK10SMN1; SMN2KDM4EPTGER1
SCHEMBL8504729 0.83 IDO1 (0.41) SMN1; SMN2KDM4EHIF1AIDO1ALDH1A1
SCHEMBL8504781 0.82 MAPK1 (0.39) MAPK1MAPK10KDM4EIDO1ALDH1A1
SCHEMBL8506457 0.82 IDO1 (0.39) MAPK1SMN1; SMN2KDM4EHIF1AIDO1
SCHEMBL8502514 0.81 IDO1 (0.40) SMN1; SMN2KDM4EHIF1APPARGIDO1
SCHEMBL8502112 0.81 IDO1 (0.40) SMN1; SMN2KDM4EHIF1AIDO1ALDH1A1
SCHEMBL8503177 0.81 POLB (0.38) MAPK1PTGER1IDO1USP2ALDH1A1
SCHEMBL8505616 0.74 L3MBTL1 (0.42) NLRP3GCGRGIPRSMN1; SMN2PPARG

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
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