SCHEMBL5032671

SCHEMBL5032671

O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Oc1cnn2c(C(F)F)cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.71
KMT2A Q03164 9/20 0.69
KDM4E B2RXH2 4/20 0.69
HTT P42858 3/20 0.69
MEN1 O00255 7/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 7/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 6/20 0.46
USP2 O75604 1/20 0.46
KDM1A O60341 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL5039222 0.93 MAPK1 (0.68) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5039201 0.91 MAPK1 (0.69) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5046598 0.89 MAPK1 (0.88) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5035035 0.89 MAPK1 (0.55) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5035270 0.88 MAPK1 (0.54) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5041469 0.87 KMT2A (0.63) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5036107 0.86 MAPK1 (0.52) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5044864 0.83 MAPK1 (0.77) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5050007 0.83 MAPK1 (0.84) MAPK1KMT2AKDM4EHTTMEN1
SCHEMBL5039082 0.83 KDM4E (0.49) MAPK1KMT2AKDM4EHTTPOLB

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
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed