SCHEMBL4322757

SCHEMBL4322757

N=C(N)Nc1nc(-c2ccc(OS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.51
KDM1A O60341 1/20 0.51
KCNQ1 P51787 2/20 0.50
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 2/20 0.46
USP8 P40818 2/20 0.46
ALOX5 P09917 1/20 0.45
ENPP3 O14638 6/20 0.44
ENPP1 P22413 5/20 0.44
ENPP2 Q13822 4/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42

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
SCHEMBL4334954 0.90 MAPT (0.52) KDM1AKCNQ1KDM4ERAB9AENPP3
SCHEMBL4330190 0.87 KCNQ1 (0.53) GSTO1KDM1AKCNQ1KDM4ERAB9A
SCHEMBL4324085 0.87 PHGDH (0.50) KDM1AKDM4ERAB9AUSP2MEN1
SCHEMBL3599413 0.85 GSTO1 (0.63) GSTO1KDM1AKDM4EALOX5CSNK2A2
SCHEMBL4322753 0.80 ATP4A (0.55) KDM1ARAB9AMAPT
SCHEMBL4338181 0.79 MEN1 (0.48) KDM1ARAB9AENPP1CSNK2A1MEN1
SCHEMBL3608913 0.73 CCR4 (0.55) GSTO1KDM4ERAB9AUSP2ALOX5
SCHEMBL3595657 0.73 PTGS2 (0.66) GSTO1RAB9AALOX5CSNK2A1MEN1
SCHEMBL4324290 0.72 HSPA5 (0.52) GSTO1KDM4ERAB9ACSNK2A2CSNK2B
SCHEMBL3791737 0.72 GSTO1 (0.72) GSTO1KDM1AKDM4EUSP2USP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO claimed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed