SCHEMBL1379751

SCHEMBL1379751

C=CC(=O)Nc1ccccc1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
ALDH1A1 P00352 3/20 0.65
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
MMP1 P03956 4/20 0.63
MMP2 P08253 4/20 0.63
MMP9 P14780 4/20 0.63
EGFR P00533 1/20 0.63
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TRPV1 Q8NER1 1/20 0.55
POLB P06746 2/20 0.54
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL482451 0.86 SMN1; SMN2 (0.71) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL1866821 0.83 LMNA (0.50) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL22536077 0.83 SMN1; SMN2 (0.67) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL1859426 0.82 MAPK3 (0.49) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL2093160 0.82 ALDH1A1 (0.62) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL3182061 0.81 TGM2 (0.49) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL31228347 0.81 TGM2 (0.65) SMN1; SMN2LMNAALDH1A1MAPTEGFR
SCHEMBL613090 0.81 TGM2 (0.65) SMN1; SMN2LMNAALDH1A1MAPTEGFR
SCHEMBL299233 0.80 ALDH1A1 (0.60) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL10940731 0.80 SMN1; SMN2 (1.00) SMN1; SMN2LMNAALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466789-A Synthesis method of beta-trifluoromethylthioamide participated by silver trifluormethane 陕西先氟领创科技有限公司 2024-01-30 CN claimed
JP-4828407-B2 2011-11-30 JP claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
CN-118515580-A Synthesis and anti-tumor activity research of novel adamantane structure-containing drug small molecules 长春工业大学 2024-08-20 CN disclosed
EP-4351553-A1 NOVEL ANTI-FIBROTIC DRUGS Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt GmbH (DE) 2024-04-17 EP disclosed
CN-117466789-A Synthesis method of beta-trifluoromethylthioamide participated by silver trifluormethane 陕西先氟领创科技有限公司 2024-01-30 CN disclosed
WO-2022258792-A1 NOVEL ANTI-FIBROTIC DRUGS Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2022-12-15 WO disclosed
CN-110498761-A Acetyl amantadine piperazine (pyridine) class compound is as neuroprotection agent application SHANGHAI INST PHARMACEUTICAL IND 2019-11-26 CN disclosed
WO-2013085802-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 WO disclosed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP disclosed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO disclosed
US-3974238-A CROSSLINKED POLYBUTADIENE ACUSHNET COMPANY (US) 1976-08-10 US disclosed