SCHEMBL8506458

SCHEMBL8506458

Cc1ccc(C(=O)c2c(Cl)cc(Cl)cc2Cl)cc1Cc1ccn[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ CALCRL Q16602 1/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL8504731 0.90 HPGDS (0.35) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL8502116 0.87 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL8502519 0.87 MRGPRX4 (0.36) MRGPRX4MEN1KMT2AALDH1A1MAPT
SCHEMBL8505814 0.86 ADRB2 (0.42) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL8503802 0.84 MAPT (0.42) MRGPRX4MEN1KMT2AALDH1A1MAPT
SCHEMBL8505640 0.84 — —
SCHEMBL8505616 0.82 L3MBTL1 (0.42) MRGPRX4ALDH1A1MAPTUSP2HTT
SCHEMBL8503180 0.81 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8503702 0.81 IL4I1 (0.37) MRGPRX4
SCHEMBL8502190 0.79 GAA (0.38) MRGPRX4MEN1KMT2AALDH1A1MAPT

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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