SCHEMBL8029591

SCHEMBL8029591

CC(OC(=O)COCC(=O)Nc1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 3/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
RORC P51449 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACSL1 P33121 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8026022 0.82 MAPT (0.43) ALDH1A1MAPTUSP2SMN1; SMN2KMT2A
SCHEMBL8136672 0.77 NPC1 (0.43) ALDH1A1MAPTUSP2SMN1; SMN2LMNA
SCHEMBL8030134 0.76 KMT2A (0.44) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL8030127 0.75 NPC1 (0.42) ALDH1A1MAPTUSP2SMN1; SMN2LMNA
SCHEMBL8026576 0.74 RORC (0.44) ALDH1A1MAPTUSP2KMT2ALMNA
SCHEMBL8029893 0.73 F2 (0.46) USP2SMN1; SMN2LMNAHSD17B10ACSL1
SCHEMBL8016515 0.72 ITK (0.44) KMT2ALMNARORCKDM4EHSD17B10
SCHEMBL8027045 0.72 F2 (0.45) ALDH1A1USP2SMN1; SMN2LMNANPSR1
SCHEMBL8029597 0.72 ACSL1 (0.43) ACSL1
SCHEMBL8029593 0.72 ACSL1 (0.42) MAPTSMN1; SMN2KMT2ARAD52LMNA

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed