SCHEMBL7718151

SCHEMBL7718151

CC(Cl)OC(=O)Oc1c(Br)cc(C#N)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 5/20 0.34
THRA P10827 4/20 0.34
GPR35 Q9HC97 2/20 0.33
F2 P00734 1/20 0.31
FFAR1 O14842 1/20 0.31
NCEH1 Q6PIU2 1/20 0.30

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
SCHEMBL23621178 0.76 MEN1 (0.48) MEN1TTRALBKMT2ACYP1A2
SCHEMBL7715334 0.76 MEN1 (0.42) MEN1TTRALBKMT2ACYP1A2
SCHEMBL11032697 0.75 TDP1 (0.49) MEN1TTRALBKMT2ACYP1A2
SCHEMBL7715299 0.73 TTR (0.42) MEN1TTRALBKMT2ACYP1A2
SCHEMBL7718047 0.72 MEN1 (0.39) MEN1TTRALBKMT2ACYP1A2
SCHEMBL5533531 0.70 HPGD (0.48) MEN1TTRALBKMT2ATHRB
SCHEMBL163129 0.70 AKR1B1 (0.42) MEN1TTRALBKMT2ACYP1A2
SCHEMBL11027338 0.70 VCAM1 (0.44) MEN1TTRALBKMT2AGPR35
SCHEMBL23621177 0.69 TTR (0.48) MEN1TTRALBKMT2ACYP1A2
SCHEMBL10763582 0.69 TTR (0.47) MEN1TTRALBKMT2ACYP1A2

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
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed