SCHEMBL30402922

SCHEMBL30402922

O=C(Cc1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1)Nc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 12/20 0.61
▸ ALDH1A1 P00352 1/20 0.51
▸ P2RX4 Q99571 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 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
SCHEMBL30402581 0.88 ANO1 (0.60) ANO1ALDH1A1P2RX4SMN1; SMN2RAB9A
SCHEMBL30285772 0.86 ANO1 (0.60) ANO1ALDH1A1P2RX4SMN1; SMN2NPC1
SCHEMBL26186467 0.86 ANO1 (0.60) ANO1ALDH1A1P2RX4SMN1; SMN2NPC1
SCHEMBL29029228 0.83 ANO1 (0.57) ANO1ALDH1A1P2RX4SMN1; SMN2
SCHEMBL24173293 0.81 SMN1; SMN2 (0.67) ANO1ALDH1A1P2RX4SMN1; SMN2NPC1
SCHEMBL29029227 0.80 ANO1 (0.58) ANO1ALDH1A1P2RX4SMN1; SMN2KCNJ5
SCHEMBL30368210 0.79 ANO1 (0.65) ANO1ALDH1A1P2RX4SMN1; SMN2
SCHEMBL30285369 0.79 P2RX4 (0.74) ANO1ALDH1A1P2RX4SMN1; SMN2
SCHEMBL26186470 0.79 P2RX4 (0.74) ANO1ALDH1A1P2RX4SMN1; SMN2
SCHEMBL30403121 0.78 ALDH1A1 (0.50) ANO1ALDH1A1

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
CN-115989218-A Use of N-phenylacetamides having P2X4 receptor antagonistic activity for the treatment of certain eye diseases 拜耳公司 2023-04-18 — — CN claimed
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