SCHEMBL6986024

SCHEMBL6986024

Cc1c(C(=O)c2cnn(C)c2OC(=O)c2cccc(F)c2)ccc2scnc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.39
ALDH1A1 P00352 3/20 0.39
PAX8 Q06710 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
THRB P10828 1/20 0.34
MEN1 O00255 5/20 0.33
MALT1 Q9UDY8 3/20 0.32
MAPK14 Q16539 1/20 0.32
IDH1 O75874 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 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
SCHEMBL7160276 0.80 HSD11B1 (0.33) MALT1
SCHEMBL6972533 0.78 POLB (0.30) KMT2A
SCHEMBL6979923 0.74 MALT1 (0.33) MALT1
SCHEMBL7154413 0.66 KDM4E (0.32) KMT2AALDH1A1MEN1
SCHEMBL6979990 0.65 MALT1 (0.32) MALT1
SCHEMBL7158040 0.64 CA12 (0.40) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL6982298 0.62 KDM4E (0.42) KMT2AALDH1A1MAPTESR2MEN1
SCHEMBL30521427 0.59 NPC1 (0.34) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL5649611 0.58 CES2 (0.65) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL2829946 0.58 KMT2A (0.63) KMT2AALDH1A1MAPTESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed