SCHEMBL30040324

SCHEMBL30040324

Cc1nn(C)c2cc(C(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.57
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
HCAR3 P49019 1/20 0.51
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.44
KMO O15229 1/20 0.43
TTR P02766 1/20 0.42
HTT P42858 1/20 0.42
GRM1 Q13255 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
DYRK1A Q13627 1/20 0.41
QPCT Q16769 1/20 0.40

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
SCHEMBL4509480 1.00 SLC22A12 (0.57) SLC22A12ADORA2AADORA2BHCAR3TDP1
SCHEMBL23535727 0.87 HCAR3 (0.55) SLC22A12ADORA2AADORA2BHCAR3TDP1
SCHEMBL30040739 0.87 HCAR3 (0.55) SLC22A12ADORA2AADORA2BHCAR3TDP1
SCHEMBL24759277 0.87 ADORA2A (0.52) SLC22A12ADORA2AADORA2BKDM4EKMO
SCHEMBL22445956 0.85 ADORA2A (0.50) SLC22A12ADORA2AADORA2BKDM4EKMO
SCHEMBL30987537 0.85 ADORA2A (0.50) SLC22A12ADORA2AADORA2BKDM4EKMO
SCHEMBL17785249 0.83 HCAR3 (0.47) SLC22A12HCAR3KDM4E
SCHEMBL23559707 0.83 ADORA2A (0.47) SLC22A12ADORA2AADORA2BTDP1KDM4E
SCHEMBL29040312 0.83 ADORA2A (0.47) SLC22A12ADORA2AADORA2BHTTQPCT
SCHEMBL23559591 0.82 HCAR3 (0.46) SLC22A12HCAR3TDP1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 CN disclosed
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed
CN-115427035-A ENL/AF9YEATS inhibitors 洛克菲勒大学 2022-12-02 CN disclosed