SCHEMBL23047262

SCHEMBL23047262

CCCCC(CC)Cc1c(CC(CC)CCCC)c2cc(C(C)(C)C)sc2c2sc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(C(C)(C)C)s6)=C5C(=O)N4CC(CC)CCCC)s3)cc12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL21531740 0.85 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL793434 0.85 KDM4E (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL21531772 0.84
SCHEMBL23047251 0.81
SCHEMBL21531682 0.79
SCHEMBL17127385 0.79 EIF4A1 (0.32) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL20828979 0.78 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18885760 0.78 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL20829127 0.78 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18885934 0.78 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A

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-2928940-B1 FUNCTIONALIZED BENZODITHIOPHENE POLYMERS FOR ELECTRONIC APPLICATION CLAP CO LTD (KR) 2021-03-03 EP disclosed