SCHEMBL16601723

SCHEMBL16601723

COc1ccc(/N=C2\c3ccccc3-c3ccc(-c4ccc(S)cc4)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 5/20 0.44
TTR P02766 2/20 0.44
GAA P10253 2/20 0.44
LRRK2 Q5S007 1/20 0.44
ABL1 P00519 2/20 0.41
ABCB1 P08183 2/20 0.41
BCR P11274 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
PDK2 Q15119 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL16656210 1.00 ALDH1A1 (0.45) ALDH1A1MAPTTTRGAALRRK2
SCHEMBL16601746 0.82 ALDH1A1 (0.40) ALDH1A1MAPTTTRGAALRRK2
SCHEMBL28420499 0.81 ALDH1A1 (0.68) ALDH1A1MAPTTTRGAALRRK2
SCHEMBL17208860 0.78 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL16234714 0.71 ABL1 (0.55) MAPTABL1ABCB1BCRMEN1
SCHEMBL7243101 0.71 ESR2 (0.58) ALDH1A1MAPTGAAABL1ABCB1
SCHEMBL1482648 0.69 PTPN1 (0.61) MAPTABL1ABCB1BCRMEN1
SCHEMBL16601722 0.68 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL16656209 0.68 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL18134597 0.67 ALDH1A1 (1.00) ALDH1A1TTRLRRK2MEN1KMT2A

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed