SCHEMBL29497697

SCHEMBL29497697

CS(=O)(=O)Oc1cccc(CBr)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
TP53 P04637 1/20 0.30
PIK3CB P42338 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL20582948 1.00 KDM4E (0.33) KDM4EKMT2AGABRA1GABRB2CA12
SCHEMBL20582849 0.81 KDM4E (0.39) KDM4EKMT2ACA1CA2CA9
SCHEMBL29497679 0.81 KDM4E (0.39) KDM4EKMT2ACA1CA2CA9
SCHEMBL20582875 0.76 KDM4E (0.33) KDM4EKMT2ACA12CA1CA2
SCHEMBL18978889 0.76 KMT2A (0.33) KDM4EKMT2AGABRA1GABRB2
SCHEMBL29497692 0.76 KDM4E (0.33) KDM4EKMT2ACA12CA1CA2
SCHEMBL2061864 0.76 IDO1 (0.42) KDM4ECA12CA1CA2CA14
SCHEMBL29497738 0.74 KDM4E (0.34) KDM4EKMT2ACA1CA2CA9
SCHEMBL20582955 0.74 KDM4E (0.34) KDM4EKMT2ACA1CA2CA9
SCHEMBL7213720 0.73 MCHR1 (0.38) KDM4EKMT2ACA1CA2CA9

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
CN-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed