SCHEMBL30403121

SCHEMBL30403121

O=C(Cc1ccc(F)cc1Cl)Nc1ccnc(CC(=O)Nc2ccccc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ ANO1 Q5XXA6 11/20 0.47
▸ ROCK2 O75116 1/20 0.45
▸ P2RX7 Q99572 1/20 0.43
▸ POLB P06746 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
SCHEMBL30403105 0.79 ANO1 (0.49) ANO1ROCK2
SCHEMBL30402922 0.78 ANO1 (0.61) ALDH1A1ANO1
SCHEMBL29005472 0.78 ANO1 (0.55) ANO1
SCHEMBL25370426 0.77 P2RX4 (0.62) ALDH1A1ANO1ROCK2P2RX7
SCHEMBL30402844 0.75 ANO1 (0.61) ANO1ROCK2P2RX7
SCHEMBL30368260 0.75 ANO1 (0.53) ANO1ROCK2P2RX7POLB
SCHEMBL30285786 0.74 P2RX4 (0.60) ANO1ROCK2P2RX7
SCHEMBL26186489 0.74 P2RX4 (0.60) ANO1ROCK2P2RX7
SCHEMBL26186535 0.73 P2RX4 (0.61) ANO1ROCK2
SCHEMBL12824945 0.73 MEN1 (0.54) ALDH1A1LMNAMEN1MAPTHPGD

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 disclosed
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