SCHEMBL30640482

SCHEMBL30640482

CCOC(=O)c1cc2cc(C)cc(Br)c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KDM4E B2RXH2 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
RAB9A P51151 3/20 0.49
PTPN2 P17706 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 2/20 0.49
ATM Q13315 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GAA P10253 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 5/20 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
SCHEMBL26621986 1.00 MAPT (0.49) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL21230507 0.88 MAPT (0.49) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL31550152 0.87 PTPN2 (0.51) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL26622014 0.87 MAPT (0.48) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL31550139 0.87 MAPT (0.48) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL12135685 0.85 XDH (0.49) MAPTKDM4ERAB9APTPN2L3MBTL1
SCHEMBL31550207 0.85 PTPN2 (0.49) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL31550135 0.83 MAPT (0.46) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL31550113 0.82 PTPN2 (0.53) MAPTKDM4ETDP1RAB9APTPN2
SCHEMBL31550161 0.81 PTPN2 (0.46) MAPTKDM4ETDP1RAB9APTPN2

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-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed