SCHEMBL21241053

SCHEMBL21241053

CC(C)c1ccc(Oc2ccccc2F)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.43
ESR1 P03372 1/20 0.43
MAP4K4 O95819 1/20 0.40
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RHEB Q15382 1/20 0.36
MRGPRX1 Q96LB2 4/20 0.35
GAA P10253 1/20 0.35
TTR P02766 1/20 0.35
BRAF P15056 1/20 0.34

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
SCHEMBL2044641 0.84 MEN1 (0.59) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL13729565 0.82 MEN1 (0.73) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL13730829 0.80 KMT2A (0.44) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL13730860 0.77 KMT2A (0.41) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL13729611 0.77 MEN1 (0.48) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL13729592 0.76 BCAT2 (0.55) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL13730831 0.72 MAP4K4 (0.42) MEN1KMT2AALDH1A1MAP4K4MRGPRX1
SCHEMBL10220140 0.70 NNMT (0.41) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL13729431 0.70 KMT2A (0.46) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL27606810 0.69 MEN1 (0.47) MEN1KMT2ANPC1TSHRRAB9A

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