SCHEMBL17989342

SCHEMBL17989342

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
LMNA P02545 2/20 0.42
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
DRD4 P21917 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
SCHEMBL17990205 0.89 LMNA (0.38) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17990175 0.86 KDM4E (0.39) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17990169 0.85 KDM4E (0.42) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17990219 0.85 KDM4E (0.38) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL16484373 0.85 KAT2A (0.54) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17245411 0.85 KDM4E (0.45) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17990180 0.84 LMNA (0.38) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17246500 0.84 KAT2A (0.43) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17990216 0.84 LMNA (0.38) TP53HSD17B10KAT2AKAT2BLMNA
SCHEMBL17245514 0.84 LMNA (0.38) TP53HSD17B10KAT2AKAT2BLMNA

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed