SCHEMBL8547745

SCHEMBL8547745

CCOC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2C)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
GAA P10253 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TEAD2 Q15562 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
GUSB P08236 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC34A1 Q06495 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL8546587 0.85 RORC (0.36) ALDH1A1L3MBTL1LMNA
SCHEMBL7689950 0.82 GUSB (0.41) BAZ2BBAZ2AGAAALDH1A1TEAD2
SCHEMBL8591022 0.78 HSD11B1 (0.32) CYP1A2CYP2C19
SCHEMBL27320851 0.77 MAPT (0.34) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9856794 0.77 BAZ2B (0.40) BAZ2BBAZ2AGAACA12CA1
SCHEMBL4067277 0.76 NTRK1 (0.37) CYP1A2CYP2C19MAPT
SCHEMBL7960684 0.76 NTRK1 (0.35) POLBCYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL8591054 0.76 RORC (0.38)
SCHEMBL6939212 0.76 BAZ2B (0.40) BAZ2BBAZ2AGAACA12CA1
SCHEMBL27561461 0.75 ALPL (0.36) SMN1; SMN2NPC1RAB9A

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 8 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 claimed
US-5668088-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-16 US claimed
WO-1996040643-A1 HERBICIDAL SUBSTITUTED 3-ARYL-PYRAZOLES MONSANTO COMPANY (US) 1996-12-19 WO claimed
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