SCHEMBL5974952

SCHEMBL5974952

Cc1ccc(Br)cc1Cc1ccc(-c2ccccc2)s1.c1ccc(-c2cccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 6/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ SLC5A1 P13866 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ DPP4 P27487 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL30529877 0.91 CYP2A6 (0.45) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL155560 0.91 CYP2A6 (0.45) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL5974662 0.88 SLC5A2 (0.52) SLC5A2CYP2C19CYP2E1CYP3A4CYP2A6
SCHEMBL5974499 0.86 CYP2C19 (0.38) SLC5A2SLC5A1PRMT6CYP2C19CYP2E1
SCHEMBL5973843 0.85 LMNA (0.42) PRMT6DPP4MAPTKDM4EMEN1
SCHEMBL156898 0.83 SLC5A2 (0.41) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL18505674 0.81 SLC5A2 (0.43) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL155881 0.81 SLC5A2 (0.40) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL155572 0.81 SLC5A2 (0.49) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL152991 0.80 SLC5A2 (0.39) SLC5A2ABCB11ADORA3SLC5A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651658-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER TANABE SEIYAKU CO., LTD. (JP) 2006-05-03 — — EP disclosed
WO-2005012326-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER TANABE SEIYAKU CO., LTD. (JP) 2005-02-10 — — WO disclosed
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