SCHEMBL30128753

SCHEMBL30128753

COc1ccc2ncn(CCc3ccncc3)c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 17/20 0.61
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL30128600 0.84 TRPA1 (0.52) P2RX3KDM4EALDH1A1HPGD
SCHEMBL30128680 0.81 MCL1 (0.50) P2RX3
SCHEMBL30129021 0.81 GRK2 (0.49) P2RX3
SCHEMBL30128619 0.81 GRK2 (0.52) P2RX3MAPT
SCHEMBL30128609 0.81 GRK2 (0.49) P2RX3KDM4E
SCHEMBL14978256 0.78 KMT2A (0.53) P2RX3KDM4E
SCHEMBL14978257 0.78 P2RX3 (0.53) P2RX3KDM4E
SCHEMBL28389854 0.78 SMN1; SMN2 (0.53) —
SCHEMBL31352625 0.78 P2RX3 (0.46) P2RX3
SCHEMBL30128668 0.78 L3MBTL1 (0.58) P2RX3ALDH1A1MAPT

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-111116552-B Quinazolinone compound and preparation method thereof 河北科技大学 2022-10-11 — — CN disclosed
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