SCHEMBL20240948

SCHEMBL20240948

CC(C)CNC(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 12/20 0.53
▸ ANO1 Q5XXA6 2/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL20258418 0.88 P2RX4 (0.59) P2RX4LMNAALDH1A1
SCHEMBL20240937 0.80 P2RX4 (0.59) P2RX4LMNAALDH1A1
SCHEMBL20240923 0.80 P2RX4 (0.56) P2RX4LMNAALDH1A1
SCHEMBL20243158 0.79 P2RX4 (0.58) P2RX4
SCHEMBL24766678 0.79 P2RX4 (0.62) P2RX4ANO1NPC1RAB9ALMNA
SCHEMBL20241201 0.78 P2RX4 (0.64) P2RX4NPC1RAB9A
SCHEMBL19576905 0.77 P2RX4 (0.60) P2RX4ANO1NPC1RAB9ALMNA
SCHEMBL24766610 0.76 P2RX4 (0.50) P2RX4ANO1NPC1RAB9ASMN1; SMN2
SCHEMBL20243503 0.75 P2RX4 (0.49) P2RX4
SCHEMBL20240919 0.74 P2RX4 (0.59) P2RX4

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
WO-2018104305-A1 FIELD OF APPLICATION OF THE INVENTION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-14 — — WO claimed
WO-2018104305-A1 FIELD OF APPLICATION OF THE INVENTION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-14 — — WO disclosed
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