SCHEMBL10646396

SCHEMBL10646396

CCCCN1C(=O)OC(C)(C)c2cc3[nH]c(-c4cccnc4)nc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
STAT1 P42224 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.41
CYP11B1 P15538 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GUSB P08236 1/20 0.39
LDHA P00338 1/20 0.39
EPHX2 P34913 1/20 0.39
KIT P10721 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ACACB O00763 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
SCHEMBL10534240 0.95 HPGD (0.47) HPGDMAPTALDH1A1RAB9AKDM4E
SCHEMBL10532195 0.91 MAPT (0.48) HPGDMAPTALDH1A1RAB9AKDM4E
SCHEMBL10532390 0.90 MAPT (0.46) HPGDMAPTALDH1A1RAB9AKDM4E
SCHEMBL10645372 0.89 ALDH1A1 (0.45) HPGDMAPTALDH1A1RAB9AKDM4E
SCHEMBL10534168 0.89 PDE4A (0.49) HPGDALDH1A1RAB9AKDM4ENPC1
SCHEMBL10532541 0.86 MAPT (0.51) HPGDMAPTALDH1A1RAB9AKDM4E
SCHEMBL10534136 0.86 ALDH1A1 (0.47) HPGDMAPTALDH1A1RAB9AKDM4E
SCHEMBL10531461 0.85 AURKA (0.42) KMT2AMEN1AURKAAURKBPDE4A
SCHEMBL10532566 0.83 PDE4A (0.51) HPGDMAPTALDH1A1RAB9AKDM4E
SCHEMBL10530386 0.83 SLC2A1 (0.43) HPGDMAPTALDH1A1RAB9AKDM4E

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
EP-0263352-A1 Imidazo-benzoxazinones, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-04-13 EP disclosed