SCHEMBL31315688

SCHEMBL31315688

O=c1[nH]c2ccc(Cl)cc2nc1C(O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.44
▸ POLB P06746 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ IDH1 O75874 2/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ DAO P14920 2/20 0.39
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38

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
SCHEMBL31315693 0.82 ALDH1A1 (0.47) POLBCYP1A2CYP2C19SMN1; SMN2GABRP
SCHEMBL31315694 0.82 KMT2A (0.51) POLBSMN1; SMN2
SCHEMBL31315696 0.80 CYP1A2 (0.47) POLBCYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL17601503 0.75 HRH4 (0.50) HRH4CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL30064815 0.75 HRH4 (0.50) HRH4CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL30065517 0.75 HRH4 (0.50) HRH4CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL17601234 0.75 HRH4 (0.50) HRH4CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL17601231 0.75 HRH4 (0.50) HRH4CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL30020933 0.75 KDM4E (0.54) POLBSMN1; SMN2
SCHEMBL19386336 0.74 HRH4 (0.52) HRH4CYP1A2CYP2C19SMN1; SMN2HIF1A

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-115233244-B Method for electrochemically synthesizing 3-hydroxyalkyl quinoxaline-2 (1H) -ketone compound 桂林医学院 2024-12-27 — — CN disclosed
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