SCHEMBL30285772

SCHEMBL30285772

O=C(Cc1cccc(F)c1Cl)Nc1ccnc(Nc2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 7/20 0.60
▸ ALDH1A1 P00352 1/20 0.50
▸ P2RX4 Q99571 2/20 0.49
▸ JAK2 O60674 2/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ EGFR P00533 2/20 0.42
▸ ERBB3 P21860 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ERBB2 P04626 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
SCHEMBL26186467 1.00 ANO1 (0.60) ANO1ALDH1A1P2RX4JAK2TYK2
SCHEMBL30402922 0.86 ANO1 (0.61) ANO1ALDH1A1P2RX4SMN1; SMN2NPC1
SCHEMBL29029227 0.85 ANO1 (0.58) ANO1ALDH1A1P2RX4JAK2TYK2
SCHEMBL30368210 0.85 ANO1 (0.65) ANO1ALDH1A1P2RX4JAK2TYK2
SCHEMBL26186449 0.84 ALDH1A1 (0.49) ANO1ALDH1A1P2RX4SMN1; SMN2EGFR
SCHEMBL30285633 0.84 ALDH1A1 (0.49) ANO1ALDH1A1P2RX4SMN1; SMN2EGFR
SCHEMBL26186470 0.78 P2RX4 (0.74) ANO1ALDH1A1P2RX4SMN1; SMN2
SCHEMBL30285369 0.78 P2RX4 (0.74) ANO1ALDH1A1P2RX4SMN1; SMN2
SCHEMBL24173293 0.78 SMN1; SMN2 (0.67) ANO1ALDH1A1P2RX4JAK2TYK2
SCHEMBL30285888 0.77 ANO1 (0.48) ANO1ALDH1A1P2RX4SMN1; SMN2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 — — CN claimed
EP-4172146-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY Bayer Aktiengesellschaft (DE) 2023-05-03 — — EP disclosed
EP-4171744-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTAIN OCULAR DISORDERS Bayer Aktiengesellschaft (DE) 2023-05-03 — — EP disclosed
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 — — CN disclosed
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 disclosed
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