SCHEMBL14725035

SCHEMBL14725035

BCC(=O)Nc1ccc2c(c1)/C(=C1\C(=O)Nc3ccc(Cl)cc31)OC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 4/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAK1 Q13153 2/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
PPIA P62937 1/20 0.37

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
SCHEMBL6087294 0.90 MEN1 (0.44) MEN1KMT2AKDRLMNAKDM4E
SCHEMBL6087302 0.90 MEN1 (0.44) MEN1KMT2AKDRLMNAKDM4E
SCHEMBL6089358 0.87 LRRK2 (0.51) MEN1KMT2AKDRALDH1A1HTT
SCHEMBL6089352 0.87 LRRK2 (0.51) MEN1KMT2AKDRALDH1A1HTT
SCHEMBL14725091 0.86 ALDH1A1 (0.46) MEN1KMT2AKDRLMNAKDM4E
SCHEMBL6087676 0.86 ALDH1A1 (0.46) MEN1KMT2AKDRLMNAKDM4E
SCHEMBL6087668 0.86 ALDH1A1 (0.46) MEN1KMT2AKDRLMNAKDM4E
SCHEMBL6087719 0.85 POLB (0.47) KMT2AALDH1A1SMN1; SMN2PAK1
SCHEMBL14725080 0.85 HPGD (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6086632 0.85 HPGD (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed