SCHEMBL19508540

SCHEMBL19508540

COc1ccc(C(=O)/C=C/c2ccc(N(C)C)c(Cl)c2)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ABCG2 Q9UNQ0 5/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CXCL12 P48061 3/20 0.53
ABCB1 P08183 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
TNFRSF1A P19438 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CXCR4 P61073 1/20 0.49

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
SCHEMBL19508695 0.90 CA1 (0.62) CA1CA2ABCG2MEN1KMT2A
SCHEMBL19508539 0.90 CTSL (0.68) CTSLCA1CA2ABCG2MEN1
SCHEMBL19508590 0.88 CTSL (0.69) CTSLCA1CA2ABCG2MEN1
SCHEMBL19508589 0.87 CA1 (0.58) CTSLCA1CA2ABCG2MEN1
SCHEMBL19474956 0.84 CTSL (0.82) CTSLCA1CA2ABCG2MEN1
SCHEMBL19508692 0.83 CTSL (0.73) CTSLABCG2MEN1KMT2ACXCL12
SCHEMBL19508538 0.79 ABCG2 (0.71) CA1CA2ABCG2MEN1KMT2A
SCHEMBL25193668 0.76 CTSL (1.00) CTSLCA1CA2ABCG2MEN1
SCHEMBL30383744 0.76 CTSL (1.00) CTSLCA1CA2ABCG2MEN1
SCHEMBL28261948 0.76 ABCG2 (0.79) CA1CA2ABCG2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
WO-2017182945-A1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIVERSIDADE DE AVEIRO (PT) 2017-10-26 WO disclosed