SCHEMBL29312537

SCHEMBL29312537

C=C(O)C(CC)Cc1c(C)[nH]c2c(SC)cccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.33
OPRM1 P35372 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
FBP1 P09467 2/20 0.31
EGFR P00533 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL18029374 0.77 MAPT (0.45) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL29312428 0.74 KCNQ2 (0.39) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL18509733 0.72 EGFR (0.55) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL21392221 0.63 KDM4E (0.41) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL23226435 0.61 KDM4E (0.44) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL18029162 0.61 MAPT (0.44) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL23226277 0.61 KDM4E (0.44) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL19871249 0.60 MAPT (0.63) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL18029059 0.59 MAPT (0.48) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL19871258 0.59 KDM4E (0.48) KDM4EMEN1GAAMAPTKMT2A

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
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed