SCHEMBL20748823

SCHEMBL20748823

C/C=C(\C)NC(=O)c1cc2sccc2cc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
HDAC8 Q9BY41 3/20 0.32
GCK P35557 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 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
SCHEMBL17618194 0.76 KDM4E (0.50) GAAALDH1A1KDM4EMEN1NPC1
SCHEMBL19664232 0.65 SMN1; SMN2 (0.44) POLBALDH1A1HDAC8KDM4EMEN1
SCHEMBL8131583 0.64 CA12 (0.46) POLBCYP2A6MEN1KMT2APTPRC
SCHEMBL28487476 0.64 DYRK1A (0.42) GAAPOLBALDH1A1CYP2A6KDM4E
SCHEMBL12228892 0.62 DYRK1A (0.38) GAAPOLBALDH1A1CYP2A6HDAC8
SCHEMBL31158396 0.60 DYRK1A (0.42) POLBALDH1A1CYP2A6MEN1KMT2A
SCHEMBL21931029 0.60 DYRK1A (0.42) ALDH1A1CYP2A6PTPRCPTPN6PTPN11
SCHEMBL164774 0.59 CYP2A6 (0.50) ALDH1A1CYP2A6HDAC8KDM4EMEN1
SCHEMBL6976362 0.59 RAB9A (0.44) GAAALDH1A1HDAC8KDM4EMEN1
SCHEMBL3814050 0.59 ALDH1A1 (0.49) GAAPOLBALDH1A1HDAC8KDM4E

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-3444257-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE Boe Technology Group Co. Ltd. (CN) 2019-02-20 EP disclosed