SCHEMBL19940274

SCHEMBL19940274

COC(=O)c1ccc(Br)cc1Oc1ccc(N)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.49
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
EPX P11678 1/20 0.44
LPO P22079 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR4A2 P43354 1/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
ALK Q9UM73 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CGAS Q8N884 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
SCHEMBL1956091 0.85 CDK8 (0.49) CDK8MPOTPOEPXLPO
SCHEMBL31180981 0.82 KMT2A (0.53) CDK8MPOTPOEPXLPO
SCHEMBL26647783 0.80 KDM4E (0.48) NR4A2ALKKMT2ACYP1A2CYP3A4
SCHEMBL29398024 0.79 BCL2 (0.49) CDK8NR4A2ALK
SCHEMBL19341716 0.79 BCL2 (0.49) CDK8NR4A2ALK
SCHEMBL19513720 0.79 NCEH1 (0.47) HSD17B10NR4A2HTTKMT2ACYP1A2
SCHEMBL1957491 0.79 HSD17B10 (0.59) HSD17B10NR4A2TSHRKMT2ACYP1A2
SCHEMBL12765104 0.78 CCNC (0.48) CDK8NR4A2KMT2AL3MBTL1
SCHEMBL1958013 0.78 HSD17B10 (0.48) HSD17B10NR4A2HTTTSHRKMT2A
SCHEMBL31181094 0.75 CDK8 (0.49) CDK8MPOTPOEPXLPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641897-B Bcl-2 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2021-12-07 CN disclosed
WO-2018041248-A1 BCL-2 SELECTIVE INHIBITOR AND PREPARATION AND USE THEREOF 北京赛林泰医药技术有限公司 2018-03-08 WO disclosed