SCHEMBL31337073

SCHEMBL31337073

O=C1c2ccc(Br)nc2-c2nc(-c3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 2/20 0.42
AGTR1 P30556 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
CYP1A2 P05177 2/20 0.36
PARP1 P09874 1/20 0.36
MAP2K3 P46734 1/20 0.35
ASIC3 Q9UHC3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL31460555 0.86 RAB9A (0.48) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL31372838 0.82 GAA (0.39) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL31402361 0.79 GAA (0.61) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28437300 0.78 S100A4 (0.41) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL4049450 0.77 RAB9A (0.54) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL25681738 0.77 NPC1 (0.55) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL21801729 0.76 AURKA (0.50) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28987151 0.75 CDC25B (0.47) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL21801784 0.74 PADI1 (0.46) MAOBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL21801789 0.74 NSD2 (0.65) RAB9AMAPTNPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025023699-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 진웅산업 2025-01-30 WO disclosed
WO-2025023702-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 진웅산업 2025-01-30 WO disclosed