SCHEMBL11560424

SCHEMBL11560424

CC(C)(C)C(=O)C(Br)Oc1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 1/20 0.40
HTR1D P28221 2/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11513046 0.83 POLB (0.39) KMT2AMEN1MAPK1PDK1PDK2
SCHEMBL11845929 0.76 LMNA (0.39) KMT2AMEN1MAPK1POLBALDH1A1
SCHEMBL11511178 0.76 TSHR (0.42) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL11511837 0.76 SMN1; SMN2 (0.51) KMT2AMEN1MAPK1ALDH1A1HPGD
SCHEMBL11512850 0.76 GAA (0.41) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL30407917 0.75 MRGPRX4 (0.38) KMT2AHTR1DALDH1A1HPGDMAPT
SCHEMBL11513712 0.74 OGG1 (0.49) KMT2APOLBALDH1A1HPGDMAPT
SCHEMBL11005358 0.74 ALDH1A1 (0.43) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL9672468 0.73 CYP2D6 (0.42) KMT2AMEN1HTR1DALDH1A1HPGD
SCHEMBL11751450 0.73 KMT2A (0.40) KMT2AMEN1MAPK1HTR1DPDK1

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
US-4147791-A 1-Substituted-1,2,4-triazole fungicidal compositions and methods for combatting fungi that infect or attack plants BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4048318-A 1-Substituted-1,2,4-triazole fungicides BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed