SCHEMBL30770731

SCHEMBL30770731

CCC(=O)c1ccnc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
AR P10275 3/20 0.42
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL568309 1.00 ATM (0.45) ATMARKDM1AHDAC1HDAC6
Bromide SCHEMBL27949951 0.98 ATM (0.44) ATMARKDM1AHDAC1HDAC6
SCHEMBL17441422 0.86 HPGD (0.47) ARKDM1AHDAC1HDAC6MEN1
SCHEMBL1886206 0.83 GSK3B (0.48) ARKDM1AHDAC1HDAC6MAPT
SCHEMBL30935127 0.83 GSK3B (0.48) ARKDM1AHDAC1HDAC6MAPT
SCHEMBL1890248 0.81 ACHE (0.41) ARKDM1AHDAC1HDAC6MEN1
SCHEMBL3466469 0.81 AR (0.38) ARKDM1AHDAC1HDAC6MAPT
SCHEMBL27827224 0.79 AR (0.40) ARKDM1AHDAC1HDAC6SMN1; SMN2
SCHEMBL362870 0.79 UHRF1 (0.43) ATMHDAC1HDAC6MEN1KMT2A
SCHEMBL2799836 0.79 KCNK3 (0.48) ATMMEN1KMT2AMAPTSMN1; SMN2

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-2024003773-A1 2,7-NAPHTHYRIDINE COMPOUNDS AS MASTL INHIBITORS PFIZER INC. (US) 2024-01-04 WO disclosed