SCHEMBL18323697

SCHEMBL18323697

Cc1cc(C(=O)O)cc2nnc(C)n12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
TPMT P51580 1/20 0.41
NR4A1 P22736 2/20 0.41
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GLA P06280 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
BRD4 O60885 3/20 0.35
ALOX15 P16050 3/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
APEX1 P27695 1/20 0.34
MYC P01106 4/20 0.34
HSD17B10 Q99714 3/20 0.34

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
SCHEMBL18323618 0.84 KDM4E (0.55) KDM4EKMT2AGLABRD4TSHR
SCHEMBL10377918 0.83 KDM4E (0.41) KDM4ETPMTNR4A1MEN1KMT2A
SCHEMBL18323588 0.81 KDM4E (0.51) KDM4EKMT2ATDP1POLBALDH1A1
SCHEMBL18323576 0.80 PDE8A (0.38) KDM4ETPMTNR4A1MEN1KMT2A
SCHEMBL18323585 0.80 KDM5A (0.41) KDM4ETPMTNR4A1MEN1KMT2A
SCHEMBL18323694 0.80 KDM4E (0.39) KDM4ETPMTNR4A1MEN1KMT2A
SCHEMBL18323689 0.80 KDM4E (0.39) KDM4ETPMTNR4A1MEN1KMT2A
SCHEMBL15907105 0.80 MEN1 (0.37) KDM4ETPMTNR4A1MEN1KMT2A
SCHEMBL18323584 0.78 TPMT (0.38) KDM4ETPMTNR4A1MEN1KMT2A
SCHEMBL18323580 0.78 KDM4E (0.37) KDM4ETPMTNR4A1MEN1KMT2A

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
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed