SCHEMBL8315461

SCHEMBL8315461

[CH]c1ccc(OCCCBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
PRSS1 P07477 3/20 0.36
LTA4H P09960 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TMPRSS2 O15393 1/20 0.36
PRMT1 Q99873 2/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
FURIN P09958 1/20 0.35
GAA P10253 1/20 0.35
PRMT5 O14744 1/20 0.35

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
SCHEMBL2530176 0.88 KCNA3 (0.50) KCNA3PRSS1LTA4HL3MBTL1TMPRSS2
SCHEMBL11613225 0.83 KCNA3 (0.52) KCNA3PRSS1L3MBTL1TMPRSS2PRMT1
SCHEMBL221617 0.81 CYP3A4 (0.50) KCNA3
SCHEMBL11615899 0.80 KCNA3 (0.55) KCNA3PRSS1L3MBTL1TMPRSS2PRMT1
SCHEMBL2015358 0.79 DRD4 (0.52) LTA4HL3MBTL1DRD2DRD4DRD3
SCHEMBL2096254 0.79 LTA4H (0.57) LTA4HGAA
SCHEMBL15977888 0.78 KCNA3 (0.38) KCNA3PRSS1LTA4HL3MBTL1TMPRSS2
SCHEMBL14095592 0.78 PRMT1 (0.54) KCNA3PRSS1L3MBTL1TMPRSS2PRMT1
SCHEMBL4218226 0.77 DRD2 (0.52) L3MBTL1DRD2DRD4DRD3
SCHEMBL4692348 0.77 LTA4H (0.59) LTA4HDRD2DRD4DRD3

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-0958294-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS GYOGYSZERGYAR (HU) 1999-11-24 EP disclosed
WO-1998030561-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS Gyógyszergyár Rt. (HU) 1998-07-16 WO disclosed