SCHEMBL20240937

SCHEMBL20240937

NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C(=O)NCC(F)F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 19/20 0.59
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ KCNJ6 P48051 1/20 0.51
▸ KCNJ5 P48544 1/20 0.51
▸ KCNJ3 P48549 1/20 0.51

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 0.90 P2RX4 (0.59) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL20240923 0.88 P2RX4 (0.56) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL20243158 0.87 P2RX4 (0.58) P2RX4
SCHEMBL20240919 0.86 P2RX4 (0.59) P2RX4KCNJ5KCNJ3
SCHEMBL20258420 0.85 P2RX4 (0.51) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL20258425 0.85 P2RX4 (0.66) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL20241068 0.85 P2RX4 (0.57) P2RX4KCNJ5KCNJ3
SCHEMBL20258484 0.84 P2RX4 (0.64) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL20258422 0.83 P2RX4 (0.61) P2RX4
SCHEMBL20258431 0.83 P2RX4 (0.61) 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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