SCHEMBL7990577

SCHEMBL7990577

CC(C)CNC(=O)c1[c]cccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 4/20 0.40
MLYCD O95822 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 2/20 0.37
MDM2 Q00987 1/20 0.37
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7476442 0.83 ALDH1A1 (0.37) KMT2AHSD17B10KDM4EHPGDNPSR1
SCHEMBL8669022 0.81 KMT2A (0.46) KMT2AHSD17B10GAAKDM4EHPGD
SCHEMBL6882657 0.80 L3MBTL1 (0.42) KMT2AKDM4EHPGDPOLBALDH1A1
SCHEMBL7088459 0.80 ALOX5 (0.41) KMT2AHSD17B10KDM4EMLYCDNPSR1
SCHEMBL6866131 0.78 MEN1 (0.48) KMT2AHPGDPOLBMEN1ALDH1A1
SCHEMBL6859753 0.78 MEN1 (0.48) KMT2AHPGDPOLBMEN1ALDH1A1
SCHEMBL6484868 0.77 ALDH1A1 (0.35) KMT2AHSD17B10GAAKDM4EMEN1
SCHEMBL7104276 0.76 NSD2 (0.55) KMT2AHSD17B10GAAKDM4EHPGD
SCHEMBL22223496 0.74 POLB (0.57) KMT2AHSD17B10GAAKDM4EHPGD
SCHEMBL6698677 0.74 ALDH1A1 (0.35) KMT2AHSD17B10GAAKDM4EHPGD

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
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed