SCHEMBL30487352

SCHEMBL30487352

CCSc1nc(N2CCc3cc(F)ccc3C2)nc(C)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ ADAMTS4 O75173 2/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ MAPT P10636 7/20 0.35
▸ LMNA P02545 4/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 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
SCHEMBL25247526 1.00 RAB9A (0.42) RAB9ANPSR1L3MBTL1JAK2JAK1
Ammonia Solution, Strong SCHEMBL25241047 0.99 RAB9A (0.41) RAB9ANPSR1L3MBTL1JAK2JAK1
Hydrochloric Acid SCHEMBL31020077 0.99 RAB9A (0.41) RAB9ANPSR1L3MBTL1JAK2JAK1
SCHEMBL30487413 0.85 RAB9A (0.40) RAB9ANPSR1JAK2JAK1TYK2
SCHEMBL25242314 0.85 RAB9A (0.40) RAB9ANPSR1JAK2JAK1TYK2
SCHEMBL25292456 0.83 KCNQ2 (0.38) JAK2JAK1TYK2JAK3KCNQ2
SCHEMBL30487432 0.83 KCNQ2 (0.38) JAK2JAK1TYK2JAK3KCNQ2
SCHEMBL25245702 0.77 KCNQ2 (0.48) RAB9ANPSR1JAK2JAK1TYK2
SCHEMBL30487391 0.77 KCNQ2 (0.48) RAB9ANPSR1JAK2JAK1TYK2
SCHEMBL25250912 0.76 KCNQ2 (0.62) JAK2JAK1TYK2JAK3KCNQ2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 — — CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 — — CN disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 — — WO disclosed
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