SCHEMBL31591085

SCHEMBL31591085

COCc1c(C(N)=O)cnn1Cc1ccc(CC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ SLC2A4 P14672 1/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31

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
SCHEMBL30739420 0.89 NPC1 (0.40) TSHRNPC1LMNAALDH1A1KMT2A
SCHEMBL31591061 0.84 TSHR (0.43) TSHRNPC1LMNAALDH1A1SLC2A1
SCHEMBL31591077 0.83 TSHR (0.48) TSHRNPC1LMNAALDH1A1KMT2A
SCHEMBL30739113 0.81 KLKB1 (0.45) NPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL30739167 0.78 KLKB1 (0.37) LMNAALDH1A1SMN1; SMN2
SCHEMBL31591089 0.75 TSHR (0.47) TSHRNPC1LMNAALDH1A1SLC2A1
SCHEMBL30739026 0.74 CACNA1H (0.38) TSHRNPC1LMNAALDH1A1KMT2A
SCHEMBL370914 0.73 NPBWR1 (0.48) NPC1LMNACYP11B1CYP11B2NPBWR1
SCHEMBL369444 0.73 NPBWR1 (0.48) NPC1ALDH1A1SMN1; SMN2RAB9ANPBWR1
SCHEMBL369974 0.73 NPBWR1 (0.48) NPC1LMNAALDH1A1SMN1; SMN2RAB9A

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-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 — — CN disclosed
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