SCHEMBL7942884

SCHEMBL7942884

COc1ccc2c(Br)c(OCc3ccccc3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
DYRK1A Q13627 1/20 0.44
SCD O00767 1/20 0.43
TLR8 Q9NR97 1/20 0.42
SENP5 Q96HI0 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
CYP3A4 P08684 1/20 0.40
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
BCHE P06276 1/20 0.40
EGFR P00533 2/20 0.40
APP P05067 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL7942817 0.91 CYP3A4 (0.49) MAOBCYP3A4
SCHEMBL7944431 0.90 MAOB (0.49) MAOBSCDCYP3A4
SCHEMBL8165605 0.90 MAOB (0.49) MAOBSCDABCB1HTR1ADRD2
SCHEMBL7744153 0.83 MAOB (0.48) MAOBSCDBCHEEGFRAPP
SCHEMBL7946159 0.82 PTGS2 (0.42) MAOB
SCHEMBL6807206 0.80 MAOB (0.48) MAOBCYP3A4BCHE
SCHEMBL31483501 0.78 MAOB (0.50) MAOBCYP3A4
SCHEMBL4515585 0.78 MAOB (0.50) MAOBCYP3A4
SCHEMBL7946154 0.76 LMNA (0.49) MAOBCYP3A4
SCHEMBL9375405 0.74 EDNRA (0.58) MAOBDYRK1ASCDSENP5SENP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US claimed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 US claimed
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US disclosed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 US disclosed