SCHEMBL11257995

SCHEMBL11257995

OC(Cc1ccccc1Cl)(Cn1ccnc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
CYP19A1 P11511 8/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
TBXAS1 P24557 2/20 0.43
POLB P06746 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP17A1 P05093 2/20 0.42
TSHR P16473 2/20 0.42
PTGS2 P35354 2/20 0.42
MEN1 O00255 1/20 0.42
SLC22A1 O15245 1/20 0.42
KCNN4 O15554 1/20 0.42

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 SCHEMBL11268175 0.92 HSP90AA1 (0.53) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11264523 0.88 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11270456 0.82 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11268747 0.82 OGG1 (0.54) CYP19A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11265341 0.82 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL10813164 0.82 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
Nitric Acid SCHEMBL11269538 0.81 CYP3A4 (0.52) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
Nitric Acid SCHEMBL11267951 0.81 HSP90AA1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MAPT
Nitric Acid SCHEMBL11263590 0.80 HSP90AA1 (0.53) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11264045 0.80 OGG1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4

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