SCHEMBL30825633

SCHEMBL30825633

c1ccc2c(c1)Cc1nccnc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.53
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK8 P45983 3/20 0.41
DYRK1A Q13627 3/20 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
SCHEMBL29832687 1.00 METAP2 (0.53) METAP2KDM4EMEN1NPC1TP53
SCHEMBL6424414 1.00 METAP2 (0.53) METAP2KDM4EMEN1NPC1TP53
SCHEMBL30322896 0.77 MEN1 (0.47) METAP2KDM4EMEN1NPC1TP53
SCHEMBL30011414 0.77 METAP2 (0.46) METAP2KDM4ENPC1CYP3A4CYP2D6
SCHEMBL27174135 0.77 METAP2 (0.46) METAP2KDM4ENPC1CYP3A4CYP2D6
SCHEMBL69894 0.77 MEN1 (0.47) METAP2KDM4EMEN1NPC1TP53
SCHEMBL51294 0.77 METAP2 (0.46) METAP2KDM4ENPC1CYP3A4CYP2D6
SCHEMBL13171944 0.77 TDP1 (0.35) METAP2KDM4EMEN1CYP2C19KMT2A
SCHEMBL17264311 0.77 KMT2A (0.45) KDM4EMEN1TP53CYP3A4CYP2D6
SCHEMBL29360004 0.77 METAP2 (0.46) METAP2KDM4ENPC1CYP3A4CYP2D6

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
CN-117618429-A Application of deubiquitinase USP 8inhibitor in preparation of medicines for treating Japanese encephalitis 中国人民解放军海军军医大学 2024-03-01 CN disclosed