SCHEMBL24089649

SCHEMBL24089649

CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
KIF11 P52732 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 1/20 0.42
NOTUM Q6P988 1/20 0.40
TSHR P16473 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
PRKDC P78527 2/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL14138088 0.87 NQO2 (0.57) NQO2ERCC5FEN1KIF11NPC1
SCHEMBL799940 0.83 ALDH1A1 (0.41) NQO2NPC1RAB9AKDM4ETSHR
SCHEMBL799954 0.82 ALDH1A1 (0.44) ERCC5FEN1NPC1RAB9AKDM4E
SCHEMBL799605 0.82 ALDH1A1 (0.44) NQO2NPC1RAB9AKDM4ETSHR
SCHEMBL799583 0.81 KMT2A (0.44) NQO2NPC1RAB9ATSHRLMNA
SCHEMBL26781772 0.81 TSHR (0.38) NQO2ERCC5FEN1RAB9ATSHR
SCHEMBL29273199 0.79 NQO2 (0.55) NQO2ERCC5FEN1KIF11NPC1
SCHEMBL12632448 0.79 NQO2 (0.47) NQO2ERCC5FEN1KIF11NPC1
SCHEMBL799604 0.79 NQO2 (0.50) NQO2NPC1RAB9AKDM4ELMNA
SCHEMBL24089745 0.79 HDAC6 (0.40) NQO2ERCC5FEN1KIF11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 US disclosed