SCHEMBL31546524

SCHEMBL31546524

Cc1cc(N2CCc3cc(F)ccc3C2)cc(C#CC2CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.44
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ MAPT P10636 9/20 0.34
▸ LMNA P02545 5/20 0.34
▸ HTT P42858 2/20 0.34
▸ EED O75530 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPK1 P28482 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DPP9 Q86TI2 2/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL31546550 0.83 KCNQ2 (0.46) KCNQ2MAOBMAPTALDH1A1DPP9
SCHEMBL25244695 0.83 KCNQ2 (0.53) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL31546537 0.80 KCNQ2 (0.50) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL25245357 0.80 KCNQ2 (0.50) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL30487362 0.80 KCNQ2 (0.50) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL25250592 0.79 KCNQ2 (0.46) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL30487385 0.79 KCNQ2 (0.46) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL25245702 0.76 KCNQ2 (0.48) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL30487391 0.76 KCNQ2 (0.48) KCNQ2RAB9AMEN1KMT2AMAOB
SCHEMBL31546562 0.76 KCNQ2 (0.76) KCNQ2

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-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
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