SCHEMBL16307248

SCHEMBL16307248

CCCCCCCCC(CCCCCC)CN1C(=O)c2csc(I)c2C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
DHPS P49366 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
SCHEMBL16307249 1.00 KDM4E (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18504928 1.00 KDM4E (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18504927 1.00 KDM4E (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL28464713 0.90 KMT2A (0.42) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL14897762 0.82 PTGS1 (0.44) ALDH1A1
SCHEMBL14881200 0.79 LMNA (0.35) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL16307253 0.79 LMNA (0.35) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL1782530 0.76 ALDH1A1 (0.41) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL30054258 0.76 TERT (0.42) KDM4EALDH1A1KMT2A
SCHEMBL18248457 0.75 CES1 (0.48) ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed