SCHEMBL21279110

SCHEMBL21279110

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C(C)(C)C)cc32)nc(C)n1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.31
KDM4E B2RXH2 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
S1PR1 P21453 1/20 0.30
MAT2A P31153 1/20 0.30
KIF11 P52732 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
SCHEMBL21278734 0.94 SLC22A12 (0.31) SLC22A12KDM4ES1PR2S1PR4ALDH1A1
SCHEMBL21279173 0.91 KIF11 (0.41) GAAMAT2AKIF11
SCHEMBL21278733 0.89 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL21279113 0.88 KDM4E (0.36) KDM4ES1PR2S1PR4ALDH1A1GLA
SCHEMBL21279181 0.87 KIF11 (0.36) MAT2AKIF11
SCHEMBL22563460 0.87 CYP1A2 (0.32) SLC22A12KDM4EMAT2AKIF11
SCHEMBL19909170 0.87 NPSR1 (0.32) SLC22A12KDM4EALDH1A1GLAHPGD
SCHEMBL21279169 0.87 PDE10A (0.33) KDM4ES1PR2S1PR4ALDH1A1GLA
SCHEMBL21279072 0.87 KDM4E (0.34) KDM4ES1PR2S1PR4ALDH1A1GLA
SCHEMBL19942754 0.87 CYP1A2 (0.32) SLC22A12ALDH1A1MAT2AKIF11

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-3399004-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-08-21 EP disclosed