SCHEMBL11262191

SCHEMBL11262191

OC(Cc1ccc(Cl)c(Cl)c1)(Cn1ccnc1)c1ccc(Cl)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.47
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
CYP27B1 O15528 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
Nitric Acid SCHEMBL11260237 0.93 CYP3A4 (0.47) OGG1FNTAFNTBPGGT1BCYP27B1
SCHEMBL11267768 0.91 CYP11B1 (0.48) OGG1CYP27B1ALDH1A1CYP11B1CYP11B2
SCHEMBL11264925 0.87 OGG1 (0.46) OGG1CYP27B1ALDH1A1CYP11B1CYP11B2
SCHEMBL11262774 0.85 OGG1 (0.51) OGG1FNTAFNTBPGGT1BCYP27B1
Nitric Acid SCHEMBL11267969 0.85 CYP3A4 (0.49) OGG1CYP27B1ALDH1A1CYP11B1CYP11B2
SCHEMBL11275277 0.84 OGG1 (0.57) OGG1CYP27B1CYP11B1CYP11B2CYP19A1
SCHEMBL11272821 0.84 OGG1 (0.47) OGG1FNTAFNTBCYP27B1ALDH1A1
Hydrochloric Acid SCHEMBL11274202 0.83 OGG1 (0.56) OGG1CYP27B1CYP11B1CYP11B2CYP19A1
SCHEMBL11272937 0.83 OGG1 (0.47) OGG1FNTAFNTBPGGT1BCYP27B1
Nitric Acid SCHEMBL11270419 0.81 CYP3A4 (0.44) OGG1CYP27B1ALDH1A1CYP11B1CYP11B2

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-4358458-A BACTERICIDE, FUNGICIDES NORDMARK-WERKE GMBH (DE) 1982-11-09 US disclosed