SCHEMBL9706943

SCHEMBL9706943

O=C(Nc1ccc(Cl)c(Cl)c1)C1CC1.O=C(Nc1ccc(Cl)c(Cl)c1)C1CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
MEN1 O00255 5/20 0.73
HTT P42858 3/20 0.73
LMNA P02545 3/20 0.73
HPGD P15428 1/20 0.73
ALOX15 P16050 1/20 0.73
ALOX12 P18054 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
EPHX2 P34913 3/20 0.61
EPHX1 P07099 2/20 0.61
MGLL Q99685 1/20 0.59
CYP3A4 P08684 1/20 0.57
MAOB P27338 1/20 0.57
NAMPT P43490 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
NR1I2 O75469 1/20 0.55
AHR P35869 1/20 0.55

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
SCHEMBL134242 1.00 KMT2A (0.73) KMT2AMEN1HTTLMNAHPGD
SCHEMBL29462402 1.00 KMT2A (0.73) KMT2AMEN1HTTLMNAHPGD
SCHEMBL2239611 0.92 HPGD (0.64) KMT2AMEN1HTTLMNAHPGD
SCHEMBL7522405 0.90 MEN1 (0.61) KMT2AMEN1HTTLMNAHPGD
SCHEMBL26279821 0.89 HPGD (0.61) KMT2AMEN1HTTLMNAHPGD
Hydrochloric Acid SCHEMBL1942210 0.89 MEN1 (0.60) KMT2AMEN1HTTLMNAHPGD
Dalapon SCHEMBL22444532 0.88 KMT2A (0.60) KMT2AMEN1HTTLMNAHPGD
Dalapon SCHEMBL9674076 0.88 KMT2A (0.60) KMT2AMEN1HTTLMNAHPGD
SCHEMBL12563633 0.86 KMT2A (0.72) KMT2AMEN1HTTLMNAHPGD
SCHEMBL1942746 0.85 MEN1 (0.67) KMT2AMEN1HTTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1991010653-A1 HERBICIDAL PYRIMIDINES AND TRIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed
WO-1991010668-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed