SCHEMBL7636737

SCHEMBL7636737

O=C(Oc1ccc(-c2cc3ccccc3s2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
APP P05067 2/20 0.55
MEN1 O00255 2/20 0.55
HDAC2 Q92769 1/20 0.51
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
PARP10 Q53GL7 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
TNFRSF1A P19438 1/20 0.47
ERN1 O75460 1/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
ACLY P53396 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL7636656 0.90 KMT2A (0.57) MAPTKMT2ATDP1APPMEN1
SCHEMBL7642214 0.87 ESR1 (0.63) MAPTKMT2ATDP1APPMEN1
SCHEMBL7639250 0.83 APP (0.58) MAPTTDP1APPHDAC2CA2
SCHEMBL732990 0.80 APP (0.58) MAPTKMT2AAPPMEN1HDAC2
SCHEMBL731486 0.79 APP (0.65) APPHDAC2CA2CA1CA9
SCHEMBL7636132 0.78 KMT2A (0.53) MAPTKMT2ATDP1MEN1CA2
SCHEMBL13305638 0.77 APP (0.54) MAPTKMT2AAPPMEN1CA2
SCHEMBL4714266 0.77 HSD17B1 (0.59) APPHDAC2CA2CA1CA9
SCHEMBL6938009 0.77 PARP10 (0.69) MAPTKMT2ATDP1MEN1PARP10
SCHEMBL32677328 0.76 APP (0.81) MAPTAPPHDAC2CA2CA1

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
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US claimed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US claimed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP claimed
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US disclosed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US disclosed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP disclosed