SCHEMBL25660809

SCHEMBL25660809

CCC(=O)c1cnc(CBr)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 1/20 0.33
HCAR3 P49019 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
BRD4 O60885 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
GSK3B P49841 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTGS1 P23219 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL20236440 0.77 ALDH1A1 (0.47) MAPTL3MBTL1KDM4EHPGDHCAR3
SCHEMBL27823817 0.77 MAPT (0.41) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL27832731 0.77 MAPT (0.41) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL12361793 0.76 CYP2C9 (0.47) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL17682295 0.76 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL2693391 0.75 MAPT (0.39) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL4594866 0.74 MAPK1 (0.50) MAPTL3MBTL1KDM4ETDP1RAB9A
SCHEMBL25659377 0.74 KDM4E (0.36) KDM4EHCAR3
SCHEMBL27717025 0.72 BAZ2B (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL567789 0.71 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1

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-2023081232-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed