SCHEMBL28034244

SCHEMBL28034244

Clc1ccc(Br)cc1COCc1cc(Br)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
HTR2A P28223 2/20 0.41
KCNH2 Q12809 2/20 0.41
CCR5 P51681 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR6 P50406 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PYCR1 P32322 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
SCHEMBL30489388 0.88 HTR2A (0.40) SLC6A4HTR2AKCNH2CCR5SMN1; SMN2
SCHEMBL6346727 0.88 TSHR (0.50) CCR5SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL1768008 0.85 HPGD (0.40) SLC6A4HTR2AKCNH2CCR5SMN1; SMN2
SCHEMBL21427663 0.84 HTT (0.40) SLC6A4HTR2AKCNH2CCR5SMN1; SMN2
SCHEMBL30622246 0.83 HPGD (0.44) SLC6A4HTR2AKCNH2CCR5SMN1; SMN2
SCHEMBL2870657 0.83 HPGD (0.44) SLC6A4HTR2AKCNH2CCR5SMN1; SMN2
SCHEMBL9342733 0.83 PYCR1 (0.45) SLC6A4HTR2AKCNH2CCR5SMN1; SMN2
SCHEMBL29442727 0.82 DHODH (0.44) SLC6A4HTR2AKCNH2CCR5ALDH1A1
SCHEMBL18322528 0.82 DHODH (0.44) SLC6A4HTR2AKCNH2CCR5ALDH1A1
SCHEMBL1767659 0.80 HPGD (0.43) SLC6A4HTR2AKCNH2CCR5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104936932-A Polymeric precursors for producing graphene nanoribbons and suitable oligophenylene monomers for preparing them BASF SE 2015-09-23 CN disclosed