SCHEMBL29758270

SCHEMBL29758270

O=C(O)CCn1ccc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.56
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ HTR7 P34969 2/20 0.49
▸ TBXAS1 P24557 1/20 0.47
▸ ITGB3 P05106 3/20 0.46
▸ ITGAV P06756 2/20 0.46
▸ ITGB5 P18084 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ KRAS P01116 2/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ FABP3 P05413 1/20 0.43
▸ FABP2 P12104 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ FABP5 Q01469 1/20 0.43
▸ ITGA2B P08514 1/20 0.43

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
SCHEMBL19100386 1.00 KMO (0.56) KMOHTR2AHTR2CNTSR1HTR7
SCHEMBL416378 0.91 ALOX5 (0.49) KMOHTR2AHTR2CNTSR1HTR7
SCHEMBL26684010 0.88 KMO (0.68) KMOHTR7TBXAS1LMNAMCL1
SCHEMBL418013 0.84 KMT2A (0.60) HTR2AHTR2CNTSR1HTR7MCL1
SCHEMBL1576323 0.81 KMO (0.78) KMOHTR2AHTR2CTBXAS1ITGB3
SCHEMBL13345643 0.81 KMO (0.56) KMOHTR2AHTR2CTBXAS1ITGB3
SCHEMBL20553630 0.80 TNF (0.52) HTR2AHTR2CNTSR1HTR7LMNA
SCHEMBL21941497 0.80 HTR2A (0.59) HTR2AHTR2CNTSR1HTR7LMNA
SCHEMBL3046803 0.80 HTR2A (0.55) HTR2AHTR2CNTSR1HTR7MCL1
SCHEMBL31238612 0.79 NTSR1 (0.58) HTR2AHTR2CNTSR1KRAS

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-114456699-A Seawater alternation resistant marine antifouling paint and preparation method thereof 嘉兴学院 2022-05-10 — — CN claimed
EP-4605395-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS Dong-A ST Co., Ltd. (KR) 2025-08-27 — — EP disclosed
WO-2024084448-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS DONG-A ST CO., LTD. (KR) 2024-04-25 — — WO disclosed
CN-114456699-A Seawater alternation resistant marine antifouling paint and preparation method thereof 嘉兴学院 2022-05-10 — — CN disclosed
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