SCHEMBL8551501

SCHEMBL8551501

Cc1c(-c2cc(CBr)c(Cl)cc2F)nn(C)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8569267 0.90 MEN1 (0.34) HSD11B1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8591022 0.88 HSD11B1 (0.32) HSD11B1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL27322877 0.81 MEN1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8565031 0.78 MEN1 (0.34) HSD11B1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8546587 0.77 RORC (0.36)
SCHEMBL8547745 0.75 BAZ2B (0.41) GAACYP1A2CYP2C19
SCHEMBL30130322 0.74 CYP1A2 (0.39) HSD11B1GAAMEN1CYP1A2CYP2C9
SCHEMBL7524976 0.74 CYP1A2 (0.39) HSD11B1GAAMEN1CYP1A2CYP2C9
SCHEMBL8570221 0.74 MEN1 (0.37) HSD11B1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8549829 0.73 GAA (0.37) HSD11B1GAAMEN1CYP1A2CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846105-A1 HERBICIDAL SUBSTITUTED 3-ARYL-PYRAZOLES MONSANTO COMPANY (US) 1998-06-10 EP disclosed
US-5675017-A REACTING VINY ETHER DERIVATIVE WITH HYDRZINE OR SUBSTITUTED HYDRAZINE TO FORM A CHEMICAL INTERMEDIATE, REACTING INTERMEDIATE WITH SUBSTITUTED HALIDE OR DIALKYL SULFATE MONSANTO COMPANY (US) 1997-10-07 US disclosed
US-5672715-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-30 US disclosed
US-5668088-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-16 US disclosed
WO-1996040643-A1 HERBICIDAL SUBSTITUTED 3-ARYL-PYRAZOLES MONSANTO COMPANY (US) 1996-12-19 WO disclosed