SCHEMBL30734262

SCHEMBL30734262

O=[N+]([O-])c1ccc(-c2ncccn2)cc1NC1CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.51
MAPT P10636 4/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL30734310 0.81 TP53 (0.47) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL30734314 0.81 XDH (0.48) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL27276581 0.77 KDM4E (0.47) MAPTGAA
SCHEMBL30734304 0.75 MAPT (0.57) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL17582804 0.75 MAPT (0.57) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL17678160 0.75 MAPT (0.57) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL11900769 0.75 MAPT (0.57) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL4077406 0.74 MAPK1 (0.62) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL2490062 0.72 MAPT (0.57) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL8885726 0.72 ALDH1A1 (0.59) HCAR3MAPTMAPK1MEN1KMT2A

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