SCHEMBL9501256

SCHEMBL9501256

Nc1ccc2c(c1)C(=O)N=CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPRC P08575 2/20 0.33
HPGD P15428 2/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33

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
SCHEMBL657838 0.77 MAPT (0.40) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL11639932 0.75 PKM (0.47) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL30671626 0.72 MAPT (0.39) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL657497 0.72 MAPT (0.39) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL1429528 0.69 MAPT (0.47) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL4002381 0.67 CASP1 (0.47) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL4476431 0.67 MAOB (0.50) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL2060404 0.67 FABP6 (0.67) MAPTLMNAGAAPDE3BPDE3A
SCHEMBL29384774 0.67 FABP6 (0.67) MAPTLMNAGAAPDE3BPDE3A
SCHEMBL6205990 0.64 CASP1 (0.44) MAPTLMNAGAAKDM4EALDH1A1

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
EP-0355598-B1 BETA-PHENOXYETHYL AMINES AND THEIR USE IN THE PREPARATION OF DYES BAYER AG (DE) 1993-06-16 EP claimed
EP-0355598-A2 Beta-phenoxyethyl amines and their use in the preparation of dyes BAYER AG (DE) 1990-02-28 EP claimed
EP-0355598-B1 BETA-PHENOXYETHYL AMINES AND THEIR USE IN THE PREPARATION OF DYES BAYER AG (DE) 1993-06-16 EP disclosed
US-5126481-A Cyclization, reduction, decyclization BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
US-5041629-A Beta-phenoxyethylamines and their use for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0355598-A2 Beta-phenoxyethyl amines and their use in the preparation of dyes BAYER AG (DE) 1990-02-28 EP disclosed