SCHEMBL23837196

SCHEMBL23837196

COc1cc2c(cc1O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1C2=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
ACHE P22303 2/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31

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
SCHEMBL14090164 0.92 HTR2A (0.33) HTR2AHTR2CHTR2BVHLELOC
SCHEMBL19657863 0.88 AURKA (0.34)
SCHEMBL17476448 0.88 AURKA (0.34)
SCHEMBL17489316 0.84 POLB (0.36) HTR2AHTR2CHTR2B
SCHEMBL19035897 0.83 KDM4E (0.31)
SCHEMBL18973168 0.83 KDM4E (0.31)
SCHEMBL31151912 0.83 ALPL (0.33) EGFRACHEHTR2AHTR2CHTR2B
SCHEMBL31151995 0.83 ALPL (0.33) EGFRACHEHTR2AHTR2CHTR2B
SCHEMBL29778228 0.82 PDE3B (0.38) HTR2AHTR2CHTR2BVHLELOC
SCHEMBL20169652 0.82 PDE4B (0.39) HTR2AHTR2CHTR2B

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-3882349-A1 (ANTI-CDH6 ANTIBODY)-(PYRROLOBENZODIAZEPINE DERIVATIVE) CONJUGATE Daiichi Sankyo Company, Limited (JP) 2021-09-22 EP disclosed