SCHEMBL30940280

SCHEMBL30940280

c1ccc2c(c1)Cc1nnnnc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.53
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
PKM P14618 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK8 P45983 3/20 0.41
DAPK3 O43293 2/20 0.41
LTK P29376 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
SCHEMBL6837855 1.00 METAP2 (0.53) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL28994384 0.85 MAOA (0.53) METAP2KDM4EMAPTMEN1CYP2C19
SCHEMBL5799814 0.76 METAP2 (0.59) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL17313398 0.75 METAP2 (0.49) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL2485732 0.72 METAP2 (0.42) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL29832687 0.71 METAP2 (0.53) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL30825633 0.71 METAP2 (0.53) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL9672389 0.71 METAP2 (0.53) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL6424414 0.71 METAP2 (0.53) METAP2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL9947860 0.70 CYP1A2 (0.37) METAP2KDM4EMAPTSMN1; SMN2MEN1

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-118360050-A Composition, light-emitting device including the same, and electronic apparatus including the light-emitting device 三星电子株式会社 2024-07-19 CN disclosed