SCHEMBL8504729

SCHEMBL8504729

O=C(c1ccc(Cl)c(Cn2ncccc2=O)c1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ DOT1L Q8TEK3 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ MEN1 O00255 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
SCHEMBL8502112 0.91 IDO1 (0.40) IDO1DOT1LF2PLAUKLKB1
SCHEMBL8502514 0.91 IDO1 (0.40) IDO1DOT1LSMN1; SMN2CYP3A4CYP2C9
SCHEMBL8506457 0.90 IDO1 (0.39) IDO1DOT1LSMN1; SMN2CYP3A4CYP2C9
SCHEMBL8505812 0.87 ADRB2 (0.42) IDO1HPGDALDH1A1KDM4ENPSR1
SCHEMBL8503797 0.85 MAPK1 (0.44) IDO1ELANESMN1; SMN2ALDH1A1POLB
SCHEMBL8505614 0.83 NLRP3 (0.41) IDO1SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL8503700 0.83 POLB (0.43) IDO1DOT1LSMN1; SMN2CYP3A4CYP2C9
SCHEMBL8502188 0.82 GAA (0.38) IDO1DOT1LSMN1; SMN2KDM4EPTGDR2
SCHEMBL8503177 0.79 POLB (0.38) IDO1ALDH1A1NPSR1MEN1POLB
SCHEMBL8501895 0.78 HTT (0.40) IDO1F2PLAUKLKB1ELANE

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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