SCHEMBL29952252

SCHEMBL29952252

Nc1oc2c(Cl)cc(Cl)cc2c(=O)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
ALPG P10696 1/20 0.46
MAPK1 P28482 1/20 0.43
CSNK2A2 P19784 3/20 0.42
CSNK2B P67870 3/20 0.42
CSNK2A1 P68400 3/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AHR P35869 2/20 0.40
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
MARK4 Q96L34 2/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 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
SCHEMBL8815638 0.75 AHR (0.57) PTPN1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29950811 0.75 MEN1 (0.68) PTPN1KDM4ETHRBMEN1LMNA
SCHEMBL11360521 0.75 MEN1 (0.68) PTPN1KDM4ETHRBMEN1LMNA
SCHEMBL29955305 0.74 MEN1 (0.59) PTPN1KDM4ETHRBMEN1LMNA
SCHEMBL29951412 0.74 PTPN1 (0.46) PTPN1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL20562055 0.72 PTPN1 (0.44) PTPN1MEN1KMT2ACSNK2A2CSNK2B
SCHEMBL11360823 0.72 ALPG (0.60) KDM4ETHRBMEN1LMNAKMT2A
SCHEMBL29956848 0.72 ALPG (0.60) KDM4ETHRBMEN1LMNAKMT2A
SCHEMBL29951231 0.70 ALPG (0.61) PTPN1KDM4ETHRBMEN1LMNA
Hydrochloric Acid SCHEMBL6779351 0.68 AHR (0.46) PTPN1CSNK2A2CSNK2BCSNK2A1CSNK2A3

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed