SCHEMBL17952926

SCHEMBL17952926

c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cnccc2-c2ccncc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 7/20 0.44
HDAC6 Q9UBN7 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
RPS6KA2 Q15349 2/20 0.36
RPS6KA1 Q15418 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL17952775 0.95 HDAC6 (0.44) RPS6KA3HDAC6SMN1; SMN2CYP1A2CYP3A4
SCHEMBL19270161 0.83 HDAC6 (0.49) HDAC6SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17952908 0.80 SMN1; SMN2 (0.42) HDAC6SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17952925 0.79 RPS6KA3 (0.40) RPS6KA3SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17952917 0.79 HPGD (0.41) RPS6KA3SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL15470447 0.79 HDAC6 (0.57) HDAC6L3MBTL1MAOAACHE
SCHEMBL21693361 0.78 CYP1A2 (0.47) HDAC6SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17952723 0.78 SMN1; SMN2 (0.45) HDAC6SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17952784 0.78 RPS6KA3 (0.41) RPS6KA3SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17952893 0.77 RPS6KA3 (0.38) RPS6KA3CYP1A2CYP3A4CYP2D6RPS6KA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 EP disclosed
US-10544361-B2 Pyridines and derivatives thereof as components for use in optoelectronic components CYNORA GMBH (DE) 2020-01-28 US disclosed
WO-2016116517-A1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed