SCHEMBL22899985

SCHEMBL22899985

CC(C)(C)c1cc(C(=O)O)c(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SORT1 Q99523 3/20 0.39
GRN P28799 2/20 0.39
GABRP O00591 2/20 0.36

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
SCHEMBL2990846 0.82 ASPH (0.45) HSD17B10TSHRLCKFYNCA12
SCHEMBL30018797 0.82 ASPH (0.45) HSD17B10TSHRLCKFYNCA12
SCHEMBL17943444 0.81 SOS1 (0.38) HSD17B10TSHRCA1CA2CA5A
SCHEMBL30614604 0.80 CSNK2A1 (0.44) HSD17B10CA12CA1CA2CA7
SCHEMBL1404736 0.79 LCK (0.46) HSD17B10LCKFYNCA12CA1
SCHEMBL25340523 0.79 KDM4E (0.58) KDM4ESORT1GRNGABRPGABRD
Nitrous Acid SCHEMBL28850943 0.77 ASPH (0.41) HSD17B10TSHRLCKFYNCA12
SCHEMBL14901955 0.76 HSD17B10 (0.44) HSD17B10TSHRLCKFYNCA12
SCHEMBL20639017 0.75 TSHR (0.40) TSHRCA12CA1CA2CA3
SCHEMBL31697155 0.75 TSHR (0.40) TSHRCA12CA1CA2CA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118745185-A Imidazopyrimidines as EED inhibitors and use thereof 密歇根大学董事会 2024-10-08 CN disclosed
CN-115212311-B Pharmaceutical composition and application thereof 苏州亚盛药业有限公司 2024-08-09 CN disclosed
CN-114127073-B Imidazopyrimidines as EED inhibitors and use thereof 密歇根大学董事会 2024-05-31 CN disclosed
CN-115212311-A Pharmaceutical composition and application thereof 苏州亚盛药业有限公司 2022-10-21 CN disclosed
EP-3999510-A1 IMIDAZOPYRIMIDINES AS EED INHIBITORS AND THE USE THEREOF The Regents Of The University Of Michigan (US) 2022-05-25 EP disclosed
CN-114127073-A Imidazopyrimidines as EED inhibitors and uses thereof 美国密歇根州立大学试剂中心 2022-03-01 CN disclosed
WO-2021011713-A1 IMIDAZOPYRIMIDINES AS EED INHIBITORS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-01-21 WO disclosed