SCHEMBL8029593

SCHEMBL8029593

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.39
ITK Q08881 2/20 0.39
AURKA O14965 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
PRKCG P05129 1/20 0.38
PHKG2 P15735 1/20 0.38
MARK3 P27448 1/20 0.38
FLT3 P36888 1/20 0.38

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
Hydrochloric Acid SCHEMBL8027248 0.87 F2 (0.49) ACSL1KMT2AMEN1POLBKDM4E
SCHEMBL8026579 0.80 ITK (0.37) KMT2AMEN1ITKAURKAMAP4K4
SCHEMBL8136672 0.78 NPC1 (0.43) ACSL1POLBKDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL8029967 0.77 F2 (0.53) POLBNPC1
SCHEMBL8026022 0.77 MAPT (0.43) ACSL1KMT2AKDM4ELMNAHSD17B10
SCHEMBL8030110 0.72 CNR2 (0.45) KMT2AMEN1POLBKDM4ELMNA
SCHEMBL8029591 0.72 ALDH1A1 (0.44) ACSL1KMT2AMEN1POLBKDM4E
SCHEMBL8026014 0.72 ACSL1 (0.45) ACSL1ITKAURKAMAP4K4CHEK2
SCHEMBL8030127 0.72 NPC1 (0.42) ACSL1KDM4ELMNAHSD17B10NPC1
SCHEMBL8029597 0.72 ACSL1 (0.43) ACSL1ITKAURKAMAP4K4CHEK2

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-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed