SCHEMBL31591089

SCHEMBL31591089

N#CCc1ccc(Cn2ncc(C(N)=O)c2C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ SLC9A1 P19634 2/20 0.35
▸ SLC9A2 Q9UBY0 2/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ SLC2A4 P14672 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ JAK2 O60674 4/20 0.32
▸ JAK1 P23458 4/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 1/20 0.32

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
SCHEMBL31591105 0.83 TSHR (0.43) TSHRALDH1A1NPC1LMNA
SCHEMBL30739016 0.83 LMNA (0.52) ALDH1A1NPC1LMNAKMT2AGAA
SCHEMBL30739114 0.82 KLKB1 (0.46) —
SCHEMBL31591085 0.75 TSHR (0.46) TSHRALDH1A1NPC1LMNACYP11B2
SCHEMBL30739065 0.69 LMNA (0.48) ALDH1A1NPC1LMNAKMT2AGAA
SCHEMBL30739051 0.68 KLKB1 (0.43) LMNA
SCHEMBL31591060 0.67 KDM4E (0.49) ALDH1A1LMNAKMT2A
SCHEMBL30739420 0.67 NPC1 (0.40) TSHRALDH1A1NPC1LMNACYP11B2
SCHEMBL10373426 0.65 TSHR (0.61) TSHRALDH1A1NPC1LMNASLC2A1
SCHEMBL31591120 0.64 TSHR (0.47) TSHRALDH1A1NPC1LMNAKMT2A

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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