SCHEMBL30639769

SCHEMBL30639769

CNCc1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NOS1 P29475 3/20 0.38
MAPT P10636 2/20 0.38
NOS2 P35228 1/20 0.38
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
DYRK1A Q13627 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
PKM P14618 1/20 0.34
NOS3 P29474 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
SCHEMBL1750523 1.00 KDM4E (0.39) KDM4EPRMT6EPHX2SMN1; SMN2NOS1
SCHEMBL3665839 0.89 PRMT6 (0.45) KDM4EPRMT6EPHX2SMN1; SMN2NOS1
SCHEMBL15301629 0.80 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHTTDYRK1A
SCHEMBL27784845 0.79 KDM4E (0.43) KDM4ESMN1; SMN2MAPTHTTDYRK1A
SCHEMBL19417587 0.79 KDM4E (0.36) KDM4ESMN1; SMN2MAPTHTTDYRK1A
SCHEMBL3669053 0.78 NOS1 (0.49) KDM4EPRMT6EPHX2SMN1; SMN2NOS1
SCHEMBL21535264 0.77 PKM (0.40) KDM4ESMN1; SMN2MAPTHTTDYRK1A
SCHEMBL10061636 0.77 CYP11B1 (0.43) PRMT6EPHX2NOS1NOS2CYP3A4
SCHEMBL13771813 0.77 PRMT6 (0.40) KDM4EPRMT6EPHX2NOS1MAPT
SCHEMBL3711569 0.76 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2MAPTHTTPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304095-B N-aryl-N-arpropargyl-aromatic acetamide compound and pharmaceutical application thereof ZHEJIANG UNIVERSITY (CN) 2026-05-26 CN disclosed
EP-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 EP disclosed
CN-112135821-B 1H-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors 方济各安吉利克化学联合股份有限公司 2024-05-31 CN disclosed
CN-117304095-A N-aryl-N-arpropargyl-aromatic acetamide compound and pharmaceutical application thereof 浙江大学 2023-12-29 CN disclosed
WO-2023209368-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2023-11-02 WO disclosed