SCHEMBL16768537

SCHEMBL16768537

Cc1cccc(C)c1-c1sc(-c2c(C)cccc2C)c2c3ccncc3c3cnccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 5/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
CYP1A2 P05177 5/20 0.36
LMNA P02545 2/20 0.36
EGFR P00533 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
NR3C1 P04150 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A1 P04798 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL18897921 0.79 KDM4E (0.30) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16768529 0.75 KDM4E (0.38) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16768527 0.74 TNF (0.43) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16768524 0.73 ACHE (0.36) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16768526 0.71 NOTUM (0.42) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16768530 0.71 TNF (0.41) CSNK2A2CSNK2B
SCHEMBL16768528 0.71 TNF (0.49) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16768525 0.70 KDM4E (0.44) CYP1A2LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL22373860 0.69 ALDH1A1 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL22373798 0.69 ALDH1A1 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed