SCHEMBL9493469

SCHEMBL9493469

COC(=O)c1cncn1C1c2ccccc2C(Cl)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.45
MAPK1 P28482 2/20 0.40
CYP11B1 P15538 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34
IDO1 P14902 7/20 0.33
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR2 O15552 1/20 0.31
RAB9A P51151 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
RBP4 P02753 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
SCHEMBL2820670 0.88 CYP11B2 (0.46) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL2820626 0.88 CYP11B2 (0.46) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL2820579 0.88 CYP11B2 (0.46) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL13475345 0.88 CYP11B2 (0.46) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL2817732 0.88 CYP11B2 (0.46) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL2819153 0.87 CYP11B2 (0.45) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL13475349 0.87 CYP11B2 (0.45) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL2818042 0.87 CYP11B2 (0.45) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL13475350 0.87 CYP11B2 (0.45) CYP11B2MAPK1CYP11B1ADAMTS5IDO1
SCHEMBL9777311 0.84 CYP11B2 (0.43) CYP11B2MAPK1CYP11B1ADAMTS5IDO1

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-5246915-A Herbicides JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-21 US disclosed