SCHEMBL29033546

SCHEMBL29033546

CN1c2ccc(Br)cc2CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36
OPRD1 P41143 2/20 0.36
PGR P06401 2/20 0.35
SRD5A1 P18405 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 1/20 0.33
HSD17B3 P37058 1/20 0.33

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
SCHEMBL29209110 0.85 OPRM1 (0.39) BRD4OPRM1OPRK1OPRD1PGR
SCHEMBL29033541 0.79 ALDH1A1 (0.47) OPRM1SRD5A1MAPTALOX15ALOX12
SCHEMBL11091178 0.76 DRD1 (0.45) OPRM1MAPTHSD17B10
SCHEMBL29516233 0.73 BRD4 (0.42) BRD4MAPTKMT2AMEN1TP53
SCHEMBL26956225 0.73 BRD4 (0.42) BRD4MAPTKMT2AMEN1TP53
SCHEMBL26956222 0.73 BRD4 (0.42) BRD4GABRA1GABRB2MAPTKMT2A
SCHEMBL1655895 0.72 NOTUM (0.43) MAPTKMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL8644828 0.72 TUBB4A (0.38) BRD4OPRM1OPRK1OPRD1GABRA1
SCHEMBL27655629 0.70 OPRM1 (0.39) OPRM1OPRK1OPRD1GABRA1GABRB2
SCHEMBL8644832 0.70 TUBB4A (0.37) BRD4GABRA1GABRB2MAPTKMT2A

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
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
CN-110128843-B Fluorescent dye and preparation method and application thereof 深圳大学 2023-07-14 CN disclosed