SCHEMBL16768520

SCHEMBL16768520

c1ccc2c(c1)sc1cc(-c3sc(-c4ccc5c(c4)sc4ccccc45)c4c5ccncc5c5cnccc5c34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
GPR3 P46089 1/20 0.39
LIMK1 P53667 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
HIPK2 Q9H2X6 3/20 0.32
ACHE P22303 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL22159418 0.82 MAPT (0.47) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL16768519 0.78 CYP11B1 (0.49) SMN1; SMN2RAB9AKDM4ETDO2
SCHEMBL13021809 0.78 GPR3 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL13021816 0.78 GPR3 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL13021808 0.78 GPR3 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL13021810 0.78 GPR3 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL16768526 0.77 NOTUM (0.42) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL16768527 0.77 TNF (0.43) ALDH1A1MAPTHPGDSMN1; SMN2CSNK2A2
SCHEMBL16768530 0.77 TNF (0.41) CSNK2A2CSNK2BALOX5
SCHEMBL28304152 0.76 RAB9A (0.50) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A

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