SCHEMBL8530225

SCHEMBL8530225

O=C1Nc2ccc(NCC(O)CO)cc2C1=Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GSK3B P49841 7/20 0.46
NTRK1 P04629 2/20 0.44
LRRK2 Q5S007 3/20 0.43
ATG4B Q9Y4P1 4/20 0.42
NOX4 Q9NPH5 1/20 0.42
APP P05067 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 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
SCHEMBL8582834 0.83 GSK3B (0.52) MAPTKDM4EALDH1A1GAAGSK3B
SCHEMBL8584320 0.82 NTRK1 (0.47) NTRK1
SCHEMBL8584332 0.82 NTRK1 (0.47) NTRK1
SCHEMBL8529701 0.81 KDM4E (0.47) MAPTKDM4EALDH1A1GAANTRK1
SCHEMBL5367043 0.80 NTRK1 (0.66) NTRK1
SCHEMBL8527944 0.78 AKT2 (0.63) GSK3BNOX4
SCHEMBL8583949 0.78 NTRK1 (0.57) NTRK1LRRK2
SCHEMBL8583955 0.78 NTRK1 (0.57) NTRK1LRRK2
SCHEMBL8526464 0.77 KDM4E (0.56) MAPTKDM4EALDH1A1GAALRRK2
SCHEMBL8530485 0.76 DHFR (0.42) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840745-A INHIBITING CELL PROLIFERATION, TUMOR GROWTH, METASTASIS, DEVELOPMENT OF ATHEROMATOUS PLAQUE AND RESTENOSIS, CONTROLLING ANGIOGENESIS, TREATING DIABETES, ENHANCING CANCER THERAPY PHARMACIA S. P. A. (IT) 1998-11-24 US claimed
WO-1996022976-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1996-08-01 WO claimed
US-5840745-A INHIBITING CELL PROLIFERATION, TUMOR GROWTH, METASTASIS, DEVELOPMENT OF ATHEROMATOUS PLAQUE AND RESTENOSIS, CONTROLLING ANGIOGENESIS, TREATING DIABETES, ENHANCING CANCER THERAPY PHARMACIA S. P. A. (IT) 1998-11-24 US disclosed
EP-0752985-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-01-15 EP disclosed
WO-1996022976-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1996-08-01 WO disclosed