SCHEMBL28285349

SCHEMBL28285349

Cc1ccc2c(c1)N(C)C(C(=O)O)N2C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NOTUM Q6P988 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTPN7 P35236 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ AADAT Q8N5Z0 1/20 0.34

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
SCHEMBL28979304 0.85 NOTUM (0.39) CSNK2A1KDM4ETSHRSMN1; SMN2NPSR1
SCHEMBL28283765 0.78 HDAC4 (0.43) KDM4ETSHRNOTUMMAPT
SCHEMBL16557879 0.74 KDM4E (0.42) KDM4ETSHRSMN1; SMN2NPSR1KMT2A
Iodide SCHEMBL25433790 0.72 KDM4E (0.41) KDM4ETSHRSMN1; SMN2NPSR1KMT2A
SCHEMBL28285504 0.71 MYC (0.30) PTPN7HSD17B10
SCHEMBL17394808 0.70 PDGFRB (0.47) NPSR1LMNAHTT
SCHEMBL28979318 0.68 MAPK1 (0.32) KDM4E
SCHEMBL21688693 0.68 HSD17B10 (0.35) SMN1; SMN2NPSR1LMNANOTUMMEN1
SCHEMBL29843820 0.66 HDAC4 (0.37) SMN1; SMN2NPSR1NOTUMMAPTPOLB
SCHEMBL28491809 0.66 PDE5A (0.61) TSHRSMN1; SMN2NPSR1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 — — CN disclosed
CN-109563050-A Amide salt compound, for the catalyst of polyurethane production and the production method of polyurethane resin 广荣化学工业株式会社 2019-04-02 — — CN disclosed
Send feedback