SCHEMBL19189337

SCHEMBL19189337

C=Cc1cc(NC)cc(C(=C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28560852 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28559902 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL22572835 0.72 FURIN (0.34)
SCHEMBL22549038 0.72 CREBBP (0.32) KDM4EALDH1A1
SCHEMBL23590672 0.70
SCHEMBL9333647 0.68 TDP1 (0.52) ALDH1A1
SCHEMBL8577301 0.68 TDP1 (0.49) ALDH1A1
SCHEMBL1760727 0.66 ALDH1A1 (0.55) ALDH1A1
SCHEMBL8577051 0.66 TSHR (0.42) ALDH1A1
SCHEMBL23811895 0.66

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-2709744-B1 PROCESS FOR PRODUCING PARTICLES COMPRISING METAL-ORGANIC FRAMEWORK COMPOUNDS UNIV DRESDEN TECH (DE) 2017-08-02 EP disclosed