SCHEMBL995824

SCHEMBL995824

O=C(Nc1cccc2ncccc12)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.79
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
PABPC1 P11940 3/20 0.77
EIF4H Q15056 3/20 0.77
L3MBTL1 Q9Y468 3/20 0.77
ALDH1A1 P00352 3/20 0.76
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
SMN1; SMN2 Q16637 3/20 0.71
CLK1 P49759 1/20 0.68
KDM4E B2RXH2 1/20 0.64
HSD17B10 Q99714 1/20 0.63
KDR P35968 1/20 0.62
MAPT P10636 1/20 0.62
NPC1 O15118 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
RAB9A P51151 1/20 0.62

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
SCHEMBL19617464 0.88 HDAC6 (1.00) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL19616383 0.85 HDAC6 (0.74) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL13762083 0.85 MEN1 (1.00) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL8620986 0.84 MEN1 (0.73) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL19976894 0.83 ALDH1A1 (0.62) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL27489211 0.83 MEN1 (0.71) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL13144407 0.83 ADORA3 (0.64) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL27599336 0.82 MEN1 (0.76) HDAC6MEN1KMT2APABPC1EIF4H
SCHEMBL3148472 0.82 NPC1 (0.82) MEN1KMT2ACYP1A2CYP3A4KDR
SCHEMBL12078784 0.80 SMN1; SMN2 (0.61) HDAC6MEN1KMT2APABPC1EIF4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324954-B1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO LTD (TW) 2022-03-09 EP claimed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 WO claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
EP-4581017-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS Biodol Therapeutics (FR) 2025-07-09 EP disclosed
WO-2024079072-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS BIODOL THERAPEUTICS (FR) 2024-04-18 WO disclosed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 WO disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed