SCHEMBL20573232

SCHEMBL20573232

O=S(=O)(O)c1ccc(CCC2CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
LMNA P02545 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NT5E P21589 1/20 0.38
DAO P14920 1/20 0.38
MAOA P21397 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL7735405 0.97 DAO (0.41) MAOBLMNAGPR84ALDH1A1TSHR
SCHEMBL12453115 0.95 DAO (0.43) MAOBLMNAALDH1A1DAO
SCHEMBL963564 0.85 KCNH2 (0.44) MAOBLMNAALDH1A1TSHRDAO
SCHEMBL8945004 0.85 MAOB (0.43) MAOBLMNAGPR84ALDH1A1MAOA
SCHEMBL23387581 0.83 GPR84 (0.37) MAOBGPR84ALDH1A1MAOA
SCHEMBL962354 0.83 RORC (0.38) MAOBLMNAGPR84MAOA
SCHEMBL26038271 0.83 CA2 (0.55) ALDH1A1
SCHEMBL21192386 0.81 LMNA (0.38) MAOBLMNAALDH1A1TSHRNT5E
SCHEMBL17797595 0.81 LMNA (0.38) LMNAALDH1A1TSHRNT5E
SCHEMBL9239765 0.81 NMT1 (0.45) MAOBMAOA

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
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed