SCHEMBL29131006

SCHEMBL29131006

CCS(=O)(=O)c1ccc(Br)c(N2CCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PIK3CA P42336 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLP1R P43220 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL29131016 0.72 ALDH1A1 (0.41) MAPTALDH1A1MAPK1TSHRNPSR1
SCHEMBL30602459 0.71 ESR1 (0.33)
SCHEMBL30602438 0.71 PSIP1 (0.32) ALDH1A1TSHR
SCHEMBL29131002 0.71 PSIP1 (0.32) ALDH1A1TSHR
SCHEMBL29130992 0.71 PSIP1 (0.32) MEN1KMT2A
SCHEMBL30602421 0.71 PSIP1 (0.32) MEN1KMT2A
SCHEMBL29131020 0.71 ESR1 (0.33)
SCHEMBL26879537 0.69 CYP1A2 (0.39) ABL1BCRMAPTSCN10AALDH1A1
SCHEMBL15972319 0.69 OPRK1 (0.39) MAPTALDH1A1MAPK1TSHRKDM4E
SCHEMBL30602409 0.69 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1KDM4E

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
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed