SCHEMBL16768522

SCHEMBL16768522

CC(C)(C)c1ccc(-c2sc(-c3ccc(C(C)(C)C)cc3)c3c4ccncc4c4cnccc4c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DGAT1 O75907 1/20 0.36
TNF P01375 1/20 0.35
NOD1 Q9Y239 1/20 0.35
TRPV1 Q8NER1 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL16768529 0.82 KDM4E (0.38) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL16768526 0.79 NOTUM (0.42) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL16768527 0.78 TNF (0.43) HPGDALDH1A1KDM4EMAPTTNF
SCHEMBL10415807 0.75 KDM4E (0.46) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL16768524 0.74 ACHE (0.36) HPGDALDH1A1RECQLHSD17B10NPC1
SCHEMBL1102574 0.71 KIF11 (0.53) KIF11HPGDALDH1A1NPC1RAB9A
SCHEMBL16768519 0.71 CYP11B1 (0.49) NPC1RAB9AKDM4ETNFCYP1A2
SCHEMBL16768530 0.69 TNF (0.41) TNFNISCH
SCHEMBL1102559 0.69 KIF11 (0.54) KIF11HPGDNPC1RAB9AKDM4E
SCHEMBL12568817 0.68 TNF (0.43) KIF11ALDH1A1NPC1RAB9AKDM4E

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