SCHEMBL9530558

SCHEMBL9530558

O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(O)c2ccc(C(F)(F)F)cc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.54
▸ SERPINE1 P05121 2/20 0.46
▸ MAOB P27338 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ SCN8A Q9UQD0 2/20 0.43
▸ SCN10A Q9Y5Y9 2/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CCR4 P51679 1/20 0.40

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
SCHEMBL9207126 0.87 MAOB (0.47) SERPINE1MAOBSCN8ASCN10ANPC1
SCHEMBL9202545 0.86 CA1 (0.47) SERPINE1MAOBMEN1KMT2ASMN1; SMN2
SCHEMBL9202456 0.86 P2RX1 (0.48) SERPINE1MAOB
SCHEMBL9201665 0.85 MAOB (0.58) TRPV1SERPINE1MAOBEPHX2KMT2A
SCHEMBL8441905 0.82 P2RX1 (0.54) MAOBMEN1KMT2ANPC1
SCHEMBL10679004 0.80 VKORC1 (0.52) TRPV1SERPINE1MAOBMEN1KMT2A
SCHEMBL9208790 0.80 KCNQ3 (0.56) —
SCHEMBL9205476 0.79 MAPT (0.52) MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8441752 0.79 VKORC1 (0.58) MAOBMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10676841 0.78 TLR8 (0.56) SERPINE1MAOBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550493-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1993-07-14 — — EP claimed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO claimed
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