SCHEMBL19629067

SCHEMBL19629067

CSc1cccc(CSc2ccc3ccccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MAPK14 Q16539 1/20 0.40
SCN9A Q15858 1/20 0.40
ANPEP P15144 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL28024514 0.82 ALDH1A1 (0.51) SCN9ACYP1A2CYP2A6CYP3A4KDM4E
SCHEMBL6057087 0.81 MAOA (0.58) MAOAMAOBSCN9AANPEPSLC6A4
SCHEMBL22957103 0.80 MEN1 (0.42) MAOAMAOBMAPK14SLC6A4CYP1A2
SCHEMBL28385092 0.79 LMNA (0.54) CYP1A2CYP2A6CYP3A4MEN1ALDH1A1
SCHEMBL28386633 0.79 DAO (0.49) MAOBCYP1A2CYP2A6CYP3A4MEN1
SCHEMBL28024503 0.79 CYP2A6 (0.47) MAOAMAOBANPEPCYP2A6MEN1
SCHEMBL28386632 0.79 RAB9A (0.53) MAOBCYP1A2CYP2A6MEN1ALDH1A1
SCHEMBL3387487 0.78 CYP2A6 (0.50) ANPEPCYP1A2CYP2A6CYP3A4ALDH1A1
SCHEMBL11909803 0.78 CYP2A6 (0.50) ANPEPCYP1A2CYP2A6CYP3A4ALDH1A1
SCHEMBL29507310 0.78 CYP2A6 (0.50) ANPEPCYP1A2CYP2A6CYP3A4ALDH1A1

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
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed