SCHEMBL8504764

SCHEMBL8504764

Cc1ccc(C(=O)c2c(F)ccc(Cc3ccn[nH]c3=O)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CALCRL Q16602 1/20 0.33
▸ RET P07949 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
SCHEMBL5375899 0.77 LMNA (0.36) ALDH1A1LMNARAB9AKMT2AMEN1
SCHEMBL8502519 0.72 MRGPRX4 (0.36) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL8501896 0.71 NPC1 (0.38) ALDH1A1RAB9AKMT2AMEN1MAPT
SCHEMBL8526363 0.70 MAPT (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL19803471 0.70 KDM4C (0.41) KMT2AMEN1CYP1A2ALOX15CALCRL
SCHEMBL8504761 0.69 IDO1 (0.37) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL8506458 0.69 MRGPRX4 (0.37) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL1710858 0.68 AR (0.53) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL8504696 0.68 PKM (0.36) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL8501881 0.67 ALDH1A1 (0.38) ALDH1A1LMNARAB9AKMT2AMEN1

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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