SCHEMBL25350656

SCHEMBL25350656

COc1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 8/20 0.65
▸ P2RX1 P51575 5/20 0.65
▸ CYP1A2 P05177 3/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ FADS1 O60427 1/20 0.53
▸ P2RX4 Q99571 3/20 0.50
▸ P2RX7 Q99572 3/20 0.50
▸ SLC20A2 Q08357 1/20 0.49
▸ SLC20A1 Q8WUM9 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL330643 0.91 TMPRSS4 (0.69) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL25348965 0.87 TMPRSS4 (0.67) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL25349564 0.86 TMPRSS4 (0.65) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL16147903 0.84 TMPRSS4 (0.60) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL30100391 0.84 TMPRSS4 (0.79) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL18341401 0.84 TMPRSS4 (0.79) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL20206206 0.83 TMPRSS4 (0.65) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL16147250 0.83 TMPRSS4 (0.56) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL331420 0.82 TMPRSS4 (0.63) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL30771730 0.82 TMPRSS4 (0.63) TMPRSS4P2RX1CYP1A2CYP3A4CYP2C19

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
WO-2023149548-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 — — WO disclosed
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