SCHEMBL10646552

SCHEMBL10646552

CN1C(=O)OCc2cc3[nH]c(-c4ccncc4)nc3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RHEB Q15382 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
GUSB P08236 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10530492 0.88 TOP1 (0.47) ALDH1A1HPGDHSD17B10RHEBGUSB
SCHEMBL10532272 0.86 RHEB (0.46) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10532273 0.86 SLC2A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL10531303 0.84 RHEB (0.43) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10534126 0.84 RHEB (0.44) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10530451 0.81 CBFB (0.52) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL10697017 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10530509 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10646624 0.76 PDE4A (0.56) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
Water SCHEMBL10532213 0.76 PDE4A (0.55) ALDH1A1KDM4EHPGDHSD17B10CYP1A2

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