SCHEMBL8549829

SCHEMBL8549829

Cc1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HSD11B1 P28845 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL30130322 0.88 CYP1A2 (0.39) GAAHSD11B1MEN1KMT2ACYP1A2
SCHEMBL7524976 0.88 CYP1A2 (0.39) GAAHSD11B1MEN1KMT2ACYP1A2
SCHEMBL27814912 0.86 GAA (0.34) GAAHSD11B1MEN1KMT2ACYP1A2
SCHEMBL8566536 0.84 PDE10A (0.33) GAACYP1A2
SCHEMBL3689455 0.82 RORC (0.36) GAAMEN1KMT2A
SCHEMBL14489535 0.82 PLAU (0.33) GAAMEN1KMT2A
SCHEMBL8565002 0.77 GAA (0.37) GAAHSD11B1
SCHEMBL7561296 0.77 ALDH1A1 (0.33) GAAMEN1KMT2AALDH1A1
SCHEMBL8564520 0.75 MEN1 (0.34) HSD11B1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8570221 0.74 MEN1 (0.37) HSD11B1MEN1KMT2ACYP1A2CYP2C9

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