SCHEMBL8026022

SCHEMBL8026022

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACSL1 P33121 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAD52 P43351 1/20 0.42
HTT P42858 1/20 0.42
ITK Q08881 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL8029591 0.82 ALDH1A1 (0.44) MAPTKDM4ELMNAHSD17B10ACSL1
SCHEMBL8016135 0.78 F2 (0.55) KDM4ELMNAHSD17B10NPC1ALDH1A1
SCHEMBL8136672 0.78 NPC1 (0.43) MAPTKDM4ELMNAHSD17B10ACSL1
SCHEMBL8030134 0.78 KMT2A (0.44) KDM4ELMNAHSD17B10ACSL1NPC1
SCHEMBL8030127 0.77 NPC1 (0.42) MAPTKDM4ELMNAHSD17B10ACSL1
SCHEMBL8029593 0.77 ACSL1 (0.42) MAPTKDM4ELMNAHSD17B10ACSL1
SCHEMBL8016515 0.74 ITK (0.44) KDM4ELMNAHSD17B10ACSL1ITK
SCHEMBL8017278 0.73 ITK (0.51) KDM4EACSL1NPC1ITK
SCHEMBL8029893 0.73 F2 (0.46) LMNAHSD17B10ACSL1USP2SMN1; SMN2
SCHEMBL8027045 0.72 F2 (0.45) KDM4ELMNAACSL1NPC1ALDH1A1

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