SCHEMBL5331640

SCHEMBL5331640

CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccccc1C

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.83
TP53 P04637 4/20 0.83
PAX8 Q06710 1/20 0.69
CREBBP Q92793 1/20 0.68
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 2/20 0.67
PKM P14618 1/20 0.67
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.57

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
SCHEMBL5329155 0.90 MAPT (0.80) MAPTTP53PAX8CREBBPKDM4E
SCHEMBL11229376 0.88 MAPT (0.69) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL5325640 0.88 PAX8 (0.85) MAPTTP53PAX8CREBBPKDM4E
Hydrochloric Acid SCHEMBL11233895 0.85 MEN1 (0.65) MAPTTP53KDM4EALDH1A1PKM
SCHEMBL5332873 0.83 PAX8 (0.85) MAPTTP53PAX8CREBBPKDM4E
SCHEMBL5929643 0.83 MAPT (0.65) MAPTTP53SMN1; SMN2GAA
SCHEMBL5329104 0.83 CREBBP (0.82) MAPTTP53PAX8CREBBPKDM4E
SCHEMBL5322774 0.83 CREBBP (0.82) MAPTTP53PAX8CREBBPKDM4E
SCHEMBL5332891 0.82 PAX8 (0.83) MAPTTP53PAX8CREBBPKDM4E
SCHEMBL5328005 0.82 PAX8 (0.83) MAPTTP53PAX8CREBBPKDM4E

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
WO-2007139496-A1 QUINOLINE DERIVATIVES ACTING AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2007-12-06 WO disclosed