SCHEMBL31598538

SCHEMBL31598538

C=C(Br)C(=O)NCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ NPC1 O15118 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ EPHX2 P34913 1/20 0.57
▸ PLAAT3 P53816 2/20 0.55
▸ PLAAT5 Q96KN8 2/20 0.55
▸ PLAAT2 Q9NWW9 2/20 0.55
▸ PLAAT4 Q9UL19 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ EPHX1 P07099 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CNR1 P21554 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.54
▸ ALDH1A1 P00352 2/20 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
SCHEMBL31598579 0.90 PLAAT5 (0.62) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL13860790 0.82 L3MBTL1 (0.68) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL2328841 0.79 L3MBTL1 (0.64) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL422826 0.79 L3MBTL1 (0.68) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL14417753 0.79 KMT2A (0.54) L3MBTL1HPGDGAAEPHX1CYP2D6
SCHEMBL164622 0.78 L3MBTL1 (0.72) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL15093821 0.78 EPHX2 (0.86) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL5932867 0.77 L3MBTL1 (0.70) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL10949637 0.77 L3MBTL1 (0.60) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL1041910 0.76 L3MBTL1 (0.74) L3MBTL1NPC1HPGDRAB9AGAA

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-120058548-A Alpha-bromo-acrylamide compound and application thereof 陕西省生物农业研究所 2025-05-30 — — CN disclosed
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