SCHEMBL8503702

SCHEMBL8503702

O=C(c1cccc(Cc2ccn[nH]c2=O)c1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 1/20 0.37
▸ MPO P05164 1/20 0.36
▸ PARP1 P09874 8/20 0.36
▸ MRGPRX4 Q96LA9 4/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ AR P10275 1/20 0.34

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 0.83 HPGDS (0.35) —
SCHEMBL8502519 0.81 MRGPRX4 (0.36) PARP1MRGPRX4
SCHEMBL8502116 0.81 MEN1 (0.38) PDE3AAR
SCHEMBL8506458 0.81 MRGPRX4 (0.37) MRGPRX4
SCHEMBL8505814 0.78 ADRB2 (0.42) POLB
SCHEMBL7585620 0.75 CYP3A4 (0.55) PARP1MRGPRX4CNR2HCAR2POLB
SCHEMBL8505616 0.75 L3MBTL1 (0.42) MRGPRX4POLB
SCHEMBL8502190 0.74 GAA (0.38) MRGPRX4PTGER1
SCHEMBL2342924 0.70 DAO (0.46) PARP1AR
SCHEMBL8503180 0.70 ALDH1A1 (0.37) POLB

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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