SCHEMBL30128680

SCHEMBL30128680

O=c1c2cc(Br)ccc2ncn1CCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.50
▸ GRK2 P25098 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ P2RX3 P56373 6/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ APP P05067 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 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
SCHEMBL30128600 0.85 TRPA1 (0.52) GRK2NPSR1L3MBTL1P2RX3LMNA
SCHEMBL30128609 0.85 GRK2 (0.49) GRK2P2RX3APPHDAC1HDAC2
SCHEMBL30128619 0.85 GRK2 (0.52) GRK2P2RX3RAB9A
SCHEMBL30129021 0.85 GRK2 (0.49) GRK2P2RX3APPHDAC1HDAC2
SCHEMBL30128753 0.81 P2RX3 (0.61) P2RX3
SCHEMBL28389854 0.81 SMN1; SMN2 (0.53) GRK2LMNAMAPK1RAB9APOLB
SCHEMBL24542665 0.81 MAPK1 (0.54) MCL1GRK2LMNAMAPK1RAB9A
SCHEMBL31241154 0.81 MCL1 (0.56) MCL1GRK2L3MBTL1LMNAMAPK1
SCHEMBL29843510 0.81 MCL1 (0.56) MCL1GRK2L3MBTL1LMNAMAPK1
SCHEMBL28856070 0.81 MCL1 (0.56) MCL1GRK2L3MBTL1LMNAMAPK1

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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