SCHEMBL30487450

SCHEMBL30487450

CCSc1cc(N2CCc3cc(F)ccc3C2)cc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 9/20 0.35
▸ LMNA P02545 5/20 0.35
▸ MAOB P27338 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ EED O75530 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ PKM P14618 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ADAMTS4 O75173 1/20 0.30
▸ MAPK1 P28482 2/20 0.30

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
SCHEMBL25244199 1.00 KCNQ2 (0.40) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL30487391 0.87 KCNQ2 (0.48) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL25245702 0.87 KCNQ2 (0.48) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL31020091 0.86 KCNQ2 (0.41) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL25254811 0.86 KCNQ2 (0.41) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL25245481 0.85 KCNQ2 (0.42) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL30487428 0.85 KCNQ2 (0.42) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL25243902 0.81 KCNQ2 (0.46) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL30487409 0.81 KCNQ2 (0.46) KCNQ2RAB9AMEN1KMT2AMAPT
SCHEMBL25285856 0.80 KCNQ2 (0.47) KCNQ2RAB9AMEN1KMT2AMAPT

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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