SCHEMBL21241035

SCHEMBL21241035

Cc1cnc(Oc2ccccc2F)cc1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR1H3 Q13133 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MRGPRX1 Q96LB2 4/20 0.39
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
CXCL8 P10145 1/20 0.38
PIN1 Q13526 1/20 0.37
MAPK14 Q16539 1/20 0.36
BRAF P15056 1/20 0.36
MAP4K4 O95819 1/20 0.36
HSPB1 P04792 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
SCHEMBL18332106 0.74 MEN1 (0.53) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL18331405 0.74 MEN1 (0.60) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL8460938 0.71 KMT2A (0.66) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL18330595 0.70 MEN1 (0.52) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL20085268 0.70 MEN1 (0.46) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL20084858 0.70 MEN1 (0.46) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL20084564 0.70 MEN1 (0.49) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL16168677 0.70 PTGS1 (0.45) MEN1KMT2ANR1H3LMNAALDH1A1
SCHEMBL21572612 0.69 MEN1 (0.51) MEN1KMT2ALMNAHTTMRGPRX1
SCHEMBL20085248 0.69 MEN1 (0.48) MEN1KMT2ALMNAHTTMRGPRX1

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
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed