SCHEMBL30487460

SCHEMBL30487460

CCSc1c(F)c(N2CCc3cc(F)ccc3C2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 10/20 0.39
▸ LMNA P02545 4/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ EED O75530 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 2/20 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
SCHEMBL25248236 1.00 RAB9A (0.45) RAB9AMAPTLMNAKCNQ2NPSR1
SCHEMBL31019999 0.91 RAB9A (0.45) RAB9AMAPTLMNAKCNQ2NPSR1
SCHEMBL25285736 0.91 RAB9A (0.45) RAB9AMAPTLMNAKCNQ2NPSR1
SCHEMBL21132502 0.84 RAB9A (0.50) RAB9AMAPTLMNAKCNQ2NPSR1
SCHEMBL31020102 0.83 KCNQ2 (0.40) RAB9AMAPTKCNQ2ALDH1A1JAK2
SCHEMBL25252637 0.83 KCNQ2 (0.40) RAB9AMAPTKCNQ2ALDH1A1JAK2
SCHEMBL25245702 0.81 KCNQ2 (0.48) RAB9AMAPTLMNAKCNQ2NPSR1
SCHEMBL30487391 0.81 KCNQ2 (0.48) RAB9AMAPTLMNAKCNQ2NPSR1
SCHEMBL26184003 0.81 KCNQ2 (0.46) RAB9AMAPTKCNQ2JAK2JAK1
SCHEMBL30487421 0.80 KCNQ2 (0.39) RAB9AMAPTKCNQ2JAK2JAK1

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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