SCHEMBL9871030

SCHEMBL9871030

COC(=O)c1cc2c(nc1Cl)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 9/20 0.49
ALDH1A1 P00352 9/20 0.49
RAB9A P51151 6/20 0.49
MAPT P10636 5/20 0.49
NPC1 O15118 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ACHE P22303 4/20 0.45
KMT2A Q03164 3/20 0.44
PPARG P37231 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SLC9A1 P19634 1/20 0.44
LMNA P02545 5/20 0.43
MAPK1 P28482 2/20 0.43
HSP90AA1 P07900 1/20 0.43
GRM1 Q13255 2/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL30681912 0.98 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL7913301 0.98 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL26618036 0.98 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL24517228 0.97 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL29378235 0.97 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL2899648 0.84 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL10472947 0.83 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL31345641 0.83 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL26617810 0.83 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL2897233 0.83 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585247-A Bicyclic heterocyclic amide inhibitors of nav1.8 for the treatment of pain 赛特温治疗公司 2025-03-07 CN disclosed
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-4987232-A ONE POT, GOOD YIELD SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) 1991-01-22 US disclosed
EP-0372654-A2 Preparation of 2-chloropyridine 3-carboxylic acid esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-13 EP disclosed