SCHEMBL22894329

SCHEMBL22894329

CNS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 2/20 0.52
▸ P2RX4 Q99571 6/20 0.51
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KCNJ6 P48051 2/20 0.44
▸ KCNJ5 P48544 2/20 0.44
▸ KCNJ3 P48549 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ACKR3 P25106 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ATAD2 Q6PL18 1/20 0.42
▸ ANO1 Q5XXA6 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
SCHEMBL19576777 0.88 P2RX4 (0.61) P2RX4ROCK2
SCHEMBL19576873 0.86 KCNJ5 (0.60) GSTO1P2RX4ALDH1A1LMNAKCNJ6
SCHEMBL20929060 0.84 P2RX4 (0.51) GSTO1P2RX4ALDH1A1LMNAKCNJ6
SCHEMBL19551715 0.81 P2RX4 (0.47) GSTO1P2RX4ALDH1A1LMNAKCNJ6
SCHEMBL19551717 0.81 P2RX4 (0.47) GSTO1P2RX4ALDH1A1LMNAKCNJ6
SCHEMBL19576776 0.81 NPC1 (0.52) GSTO1P2RX4ALDH1A1LMNAKCNJ6
SCHEMBL24686030 0.78 ROCK2 (0.49) P2RX4ALDH1A1LMNAKCNJ5KCNJ3
SCHEMBL24687088 0.78 ROCK2 (0.49) P2RX4ALDH1A1LMNAKCNJ5KCNJ3
SCHEMBL24686679 0.76 RECQL (0.47) P2RX4ALDH1A1LMNAKCNJ5KCNJ3
SCHEMBL19576907 0.75 GSTO1 (0.42) GSTO1P2RX4ALDH1A1LMNAKCNJ6

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
EP-3763704-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2021-01-13 — — EP disclosed
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