SCHEMBL30734310

SCHEMBL30734310

O=[N+]([O-])c1ccc(-c2ncco2)cc1NC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
MAPT P10636 5/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HCAR3 P49019 2/20 0.44
POLB P06746 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL30734262 0.81 HCAR3 (0.51) TP53MAPTMAPK1MEN1KMT2A
SCHEMBL30734264 0.79 KDM4E (0.40) MAPTL3MBTL1GAA
SCHEMBL22043535 0.73 KDM4E (0.46) TP53MAPTRXFP1L3MBTL1GAA
SCHEMBL1830727 0.73 NPC1 (0.55) MAPTMEN1KMT2APOLBHTT
SCHEMBL1127050 0.73 TDP1 (0.47) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL30734314 0.72 XDH (0.48) TP53MAPTMAPK1MEN1KMT2A
SCHEMBL29033804 0.72 KCNJ1 (0.44) MAPTMEN1KMT2APOLBKCNJ1
SCHEMBL17582804 0.72 MAPT (0.57) MAPTMAPK1MEN1KMT2AHCAR3
SCHEMBL11900769 0.72 MAPT (0.57) MAPTMAPK1MEN1KMT2AHCAR3
SCHEMBL17678160 0.72 MAPT (0.57) MAPTMAPK1MEN1KMT2AHCAR3

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
WO-2023250399-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed