SCHEMBL24687094

SCHEMBL24687094

O=C(Cc1cccc(F)c1Cl)Nc1ccc(CO)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 2/20 0.52
▸ P2RX4 Q99571 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KCNJ5 P48544 4/20 0.44
▸ KCNJ3 P48549 4/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL24685925 0.91 ANO1 (0.52) ANO1P2RX4ALDH1A1NPC1RAB9A
SCHEMBL24686362 0.85 SMN1; SMN2 (0.58) P2RX4NPC1RAB9AMEN1KMT2A
SCHEMBL24687034 0.83 KCNJ5 (0.61) ANO1P2RX4ALDH1A1KCNJ5KCNJ3
SCHEMBL24687098 0.82 ANO1 (0.51) ANO1P2RX4ALDH1A1NPC1RAB9A
SCHEMBL24687088 0.81 ROCK2 (0.49) ANO1P2RX4ALDH1A1KCNJ5KCNJ3
SCHEMBL24687100 0.80 P2RX4 (0.46) ANO1P2RX4ALDH1A1NPC1RAB9A
SCHEMBL18301967 0.77 P2RX4 (0.62) ANO1P2RX4
SCHEMBL24685940 0.75 SMN1; SMN2 (0.58) P2RX4NPC1RAB9AMEN1KMT2A
SCHEMBL24173293 0.75 SMN1; SMN2 (0.67) ANO1P2RX4ALDH1A1NPC1RAB9A
SCHEMBL30402922 0.73 ANO1 (0.61) ANO1P2RX4ALDH1A1NPC1RAB9A

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-2022161416-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2022-08-04 — — WO disclosed
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