SCHEMBL7811459

SCHEMBL7811459

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nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Ethylene SCHEMBL10487157 0.96 LMNA (0.43) LMNATSHRALDH1A1
SCHEMBL10393867 0.89 LMNA (0.43) LMNATSHR
Ethylene SCHEMBL11639180 0.84 LMNA (0.39) LMNATSHR
SCHEMBL3635650 0.81 MEN1 (0.33) TSHRALDH1A1MEN1KMT2A
SCHEMBL11485155 0.81 LMNA (0.63) LMNATSHRALDH1A1
SCHEMBL2544428 0.80 LMNA (0.50) LMNATSHR
SCHEMBL441891 0.80 ALDH1A1 (0.34) TSHRALDH1A1
Glutaral SCHEMBL7174412 0.77 LMNA (0.57) LMNATSHRALDH1A1
Butanal SCHEMBL264581 0.77 ALDH1A1 (0.57) LMNATSHRALDH1A1
Butanal SCHEMBL11750341 0.77 ALDH1A1 (0.57) LMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636623-B1 Indole derivatives as 5-HT1- like agonists ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5863935-A SYNTHESIS OF INDOLE DERIVATIVES OF HETEROCYCLIC COMPOUNDS FOR TREATMENT OF HEADACHES AND MIGRAINES ZENECA LIMITED (GB) 1999-01-26 US disclosed
EP-0486666-B1 THERAPEUTIC HETEROCYCLIC COMPOUNDS ZENECA LTD (GB) 1997-08-13 EP disclosed
US-5466699-A Indolyl compounds for treating migraine BURROUGHS WELLCOME CO. (US) 1995-11-14 US disclosed
US-5399574-A 5-hydroxytryptamine agonists; vasoconstrictors BURROUGHS WELLCOME CO. (US) 1995-03-21 US disclosed
EP-0636623-A1 Indole derivatives as 5-HT1- like agonists THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-01 EP disclosed
EP-0486666-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS. WELLCOME FOUND (GB) 1992-05-27 EP disclosed
WO-1991018897-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-12 WO disclosed
US-4183866-A USING PREREDUCED COPPER CHOMITE HYDROGENATION CATALYST CHEVRON RESEARCH COMPANY (US) 1980-01-15 US disclosed