SCHEMBL31358628

SCHEMBL31358628

Cn1cc(OCCCCO[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.41
PDK2 Q15119 4/20 0.32
HRH3 Q9Y5N1 7/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOB P27338 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL24866429 0.82 LTA4H (0.39) PDK2HRH3CYP19A1ALDH1A1HTT
SCHEMBL26907586 0.75 PREP (0.36)
SCHEMBL23773625 0.75 DUT (0.37) DUTKDM4EALDH1A1
SCHEMBL34471301 0.74 SCD (0.37) DUTMAOBKDM4EALDH1A1
SCHEMBL8063404 0.72 DUT (0.43) DUT
SCHEMBL31483022 0.72 TAAR1 (0.41)
SCHEMBL26926995 0.71 DUT (0.45) DUTHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL26926721 0.71 DUT (0.39) DUT
SCHEMBL9007756 0.70 DUT (0.42) DUT
SCHEMBL14245094 0.70 DUT (0.42) DUT

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-119421709-A Indazole-containing macrocyclic compounds and uses thereof 荣山医药股份有限公司 2025-02-11 CN disclosed