SCHEMBL9528035

SCHEMBL9528035

O=C(CBr)C1(Br)Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.38
GSK3B P49841 2/20 0.38
HDAC9 Q9UKV0 1/20 0.37
MME P08473 3/20 0.36
MMP8 P22894 2/20 0.35
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 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
SCHEMBL9525675 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL855461 0.78 BRD4 (0.41) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL30645250 0.76 MME (0.40) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL856751 0.76 MME (0.40) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL9770183 0.74 DPP4 (0.37) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL856404 0.74 PTPN1 (0.33) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL30681192 0.74 PTPN1 (0.33) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL9527248 0.70 ATM (0.39) MME
SCHEMBL9770000 0.70 BRD4 (0.47)
SCHEMBL9526937 0.70 CYP2D6 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed
EP-0183492-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1986-06-04 EP disclosed