SCHEMBL3362514

SCHEMBL3362514

O=CC(Br)(Br)c1ccccc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTNNB1 P35222 1/20 0.41
RIPK1 Q13546 1/20 0.40
LTA4H P09960 1/20 0.39
TTR P02766 1/20 0.39
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH1 P35367 1/20 0.37
TSPO P30536 1/20 0.37

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
SCHEMBL3364583 0.77 CA1 (0.46) LMNAGAAKMT2ATSHRHTT
SCHEMBL3363688 0.74 CCNB2 (0.55) LMNAGAAALDH1A1LTA4H
SCHEMBL4350378 0.73 ALDH1A1 (0.47) LMNAGAAKMT2ATSHRHTT
SCHEMBL3366339 0.73 DRD1 (0.45) LMNAGAAKMT2AHTTHPGD
SCHEMBL3362504 0.73 ALDH1A1 (0.44) LMNAGAAKMT2AHTTALDH1A1
SCHEMBL3366374 0.73 IRAK4 (0.42) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL1676646 0.72 LTA4H (0.53) LMNAGAAKMT2ATSHRCTNNB1
SCHEMBL8776759 0.72 RIPK1 (0.53) LMNAGAAKMT2ATSHRHTT
SCHEMBL11176072 0.72 DPP4 (0.47) LMNAGAAKMT2ATSHRHTT
SCHEMBL278540 0.72 RIPK1 (0.53) LMNAGAAKMT2ATSHRHTT

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed