SCHEMBL28537520

SCHEMBL28537520

O=C(O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 8/20 0.53
▸ CA12 O43570 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 1/20 0.53
▸ SCN2A Q99250 1/20 0.53
▸ DDAH1 O94760 1/20 0.49
▸ ALOX5 P09917 1/20 0.47
▸ PPARA Q07869 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ DAO P14920 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 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
SCHEMBL30610354 1.00 P2RX4 (0.53) P2RX4CA12CA9CA1CA2
SCHEMBL17879153 0.88 P2RX4 (0.56) P2RX4L3MBTL1NPSR1TSHR
SCHEMBL17851140 0.88 P2RX4 (0.50) P2RX4L3MBTL1NPSR1TSHR
SCHEMBL30874549 0.88 P2RX4 (0.50) P2RX4L3MBTL1NPSR1TSHR
SCHEMBL17850889 0.88 P2RX4 (0.50) P2RX4L3MBTL1NPSR1TSHR
SCHEMBL23220442 0.85 CA12 (0.63) CA12CA9CA1CA2SCN2A
SCHEMBL31294692 0.85 CA12 (0.63) CA12CA9CA1CA2SCN2A
SCHEMBL28338100 0.85 P2RX4 (0.50) P2RX4ALOX5L3MBTL1TSHR
SCHEMBL17851082 0.83 P2RX4 (0.46) P2RX4ALOX5L3MBTL1NPSR1TSHR
SCHEMBL17851130 0.83 P2RX4 (0.46) P2RX4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425382-A Perovskite solar cell preparation method and perovskite photoelectric device thereof 广东工业大学 2024-01-19 — — CN disclosed
CN-112625004-B Novel photo-activated organic small molecule matrix, preparation method and application thereof in MALDI mass spectrometry detection 苏州大学 2022-10-11 — — CN disclosed
WO-2022126819-A1 PHOTOACTIVATED NOVEL ORGANIC SMALL-MOLECULAR MATRIX, PREPARATION METHOD THEREFOR AND USE THEREOF IN MALDI MASS SPECTROMETRY DETECTION 苏州大学 2022-06-23 — — WO disclosed
CN-112625004-A Novel photo-activated organic small molecule matrix, preparation method and application thereof in MALDI mass spectrometry detection 苏州大学 2021-04-09 — — CN disclosed
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