SCHEMBL25848123

SCHEMBL25848123

CC(=O)c1cn(C)c2ncc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.41
▸ BRD4 O60885 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ OPRK1 P41145 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDK1 Q15118 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM6B O15054 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL24067302 0.81 HPGD (0.41) HSD17B10BRD4L3MBTL1HTTALDH1A1
SCHEMBL21815683 0.81 HSD17B10 (0.42) HSD17B10GSK3BOPRK1PDK1HSP90AA1
SCHEMBL31425803 0.78 KRAS (0.38) HSD17B10GSK3BTSHROPRK1ALDH1A1
SCHEMBL22450623 0.78 BRD4 (0.38) BRD4L3MBTL1ALDH1A1MTNR1AKDM4E
SCHEMBL15882666 0.76 ENPP3 (0.45) HSD17B10L3MBTL1HTTALDH1A1SMN1; SMN2
SCHEMBL14884084 0.75 HSD17B10 (0.43) HSD17B10BRD4L3MBTL1GSK3BHTT
SCHEMBL13745841 0.75 DGAT1 (0.35) HSD17B10BRD4GSK3BTSHROPRK1
SCHEMBL21815626 0.74 LMNA (0.53) HSD17B10TSHROPRK1ALDH1A1SMN1; SMN2
SCHEMBL30495357 0.74 HSD17B10 (0.37) HSD17B10GSK3BTSHRALDH1A1MTNR1A
SCHEMBL24342347 0.74 HSD17B10 (0.37) HSD17B10GSK3BTSHRALDH1A1MTNR1A

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
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