SCHEMBL10688149

SCHEMBL10688149

O=c1oc2ccccc2c(O)c1C1CC(c2ccc(Cc3ccc(-c4ccc(Br)cc4)cc3)cc2)Cc2ccccc21

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 6/20 0.89
THRB P10828 1/20 0.40
NQO1 P15559 4/20 0.40
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4D Q08499 1/20 0.36
PCSK7 Q16549 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PRNP P04156 1/20 0.36

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
Brodifacoum SCHEMBL29455095 0.94 VKORC1 (1.00) VKORC1THRBNQO1LMNAHPGD
Brodifacoum SCHEMBL435133 0.94 VKORC1 (1.00) VKORC1THRBNQO1LMNAHPGD
SCHEMBL10687567 0.94 VKORC1 (0.78) VKORC1NQO1LMNAHPGDMEN1
SCHEMBL10692706 0.91 VKORC1 (0.82) VKORC1THRBNQO1ALDH1A1
SCHEMBL10694018 0.91 VKORC1 (0.82) VKORC1THRBNQO1ALDH1A1
SCHEMBL24003588 0.88 VKORC1 (0.86) VKORC1NQO1LMNAHPGDMEN1
SCHEMBL29904783 0.88 VKORC1 (0.86) VKORC1NQO1LMNAHPGDMEN1
SCHEMBL29455127 0.88 VKORC1 (0.86) VKORC1NQO1LMNAHPGDMEN1
SCHEMBL122474 0.88 VKORC1 (0.86) VKORC1NQO1LMNAHPGDMEN1
SCHEMBL9642577 0.87 VKORC1 (0.85) VKORC1THRBNQO1LMNAHPGD

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
US-4748185-A RODENTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed