SCHEMBL24569883

SCHEMBL24569883

CCn1cnc2cc(Oc3ccc([N+](=O)[O-])cc3C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
MAPT P10636 7/20 0.44
HTT P42858 4/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 2/20 0.44
BRD4 O60885 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
PDE7A Q13946 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
SCHEMBL29888300 1.00 PKM (0.47) PKMMAPTHTTMAPK1POLB
SCHEMBL29888172 0.85 L3MBTL1 (0.46) PKMMAPTHTTMAPK1POLB
SCHEMBL24570249 0.85 L3MBTL1 (0.46) PKMMAPTHTTMAPK1POLB
SCHEMBL29888404 0.83 ALDH1A1 (0.42) PKMMAPTHTTMAPK1POLB
SCHEMBL11797084 0.82 PKM (0.64) PKMMAPTHTTMAPK1POLB
SCHEMBL24569468 0.81 MAPT (0.47) MAPTHTTPOLBALDH1A1SMN1; SMN2
SCHEMBL29025843 0.80 ALDH1A1 (0.41) PKMMAPTHTTMAPK1POLB
SCHEMBL24569905 0.78 ALDH1A1 (0.40) PKMMAPTHTTBRD4ALDH1A1
SCHEMBL29887828 0.78 ALDH1A1 (0.40) PKMMAPTHTTBRD4ALDH1A1
SCHEMBL24167435 0.77 MEN1 (0.46) MAPTHTTMAPK1ALDH1A1GAA

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-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed