SCHEMBL8504693

SCHEMBL8504693

COc1ccc(C(=O)c2c(C)cc(C)cc2C)cc1Cn1ncccc1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL8503177 0.91 POLB (0.38) L3MBTL1IDO1MEN1KMT2ARXFP1
SCHEMBL8502482 0.86 HPGD (0.48) L3MBTL1MEN1KMT2AMAPTPKM
SCHEMBL8505812 0.85 ADRB2 (0.42) L3MBTL1IDO1MEN1KMT2ARXFP1
SCHEMBL8504781 0.82 MAPK1 (0.39) L3MBTL1IDO1MEN1KMT2ARXFP1
SCHEMBL8526361 0.75 MAPT (0.43) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8503797 0.75 MAPK1 (0.44) IDO1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL8506457 0.75 IDO1 (0.39) IDO1MEN1KMT2AMAPTPOLB
SCHEMBL8505614 0.73 NLRP3 (0.41) IDO1MAPTPOLBSMN1; SMN2MAPK1
SCHEMBL8504696 0.71 PKM (0.36) L3MBTL1MEN1KMT2AMAPTPOLB
SCHEMBL8502188 0.71 GAA (0.38) IDO1MEN1KMT2ASMN1; SMN2MAPK1

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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