SCHEMBL27118041

SCHEMBL27118041

CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c2c1SCc1cc(OC)c(Br)cc1-2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ KCNK3 O14649 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL30759630 1.00 L3MBTL1 (0.39) L3MBTL1PTGS2PTGS1KCNK3ALDH1A1
SCHEMBL27118042 0.88 PTGS2 (0.42) L3MBTL1PTGS2PTGS1ALDH1A1MAPT
SCHEMBL30759516 0.88 PTGS2 (0.42) L3MBTL1PTGS2PTGS1ALDH1A1MAPT
SCHEMBL27119351 0.84 CCNA2 (0.47) L3MBTL1KCNK3ALDH1A1NPSR1MAPT
SCHEMBL27118701 0.84 CCNA2 (0.43) L3MBTL1KCNK3ALDH1A1NPSR1MAPT
SCHEMBL30759600 0.84 CCNA2 (0.47) L3MBTL1KCNK3ALDH1A1NPSR1MAPT
SCHEMBL30759633 0.82 PTGS2 (0.40) PTGS2PTGS1ALDH1A1LMNA
SCHEMBL27118151 0.82 PTGS2 (0.40) PTGS2PTGS1ALDH1A1LMNA
SCHEMBL30759541 0.82 L3MBTL1 (0.39) L3MBTL1KCNK3ALDH1A1NPSR1MAPT
SCHEMBL27117828 0.82 L3MBTL1 (0.39) L3MBTL1KCNK3ALDH1A1NPSR1MAPT

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-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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