SCHEMBL25404689

SCHEMBL25404689

COc1ccnc(NC(=O)Nc2cc(C)cc(C)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.61
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MITF O75030 1/20 0.54
PKM P14618 1/20 0.54
XBP1 P17861 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
GBA1 P04062 1/20 0.53
MAPK1 P28482 1/20 0.53
PPARG P37231 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
RIOK2 Q9BVS4 6/20 0.50

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
SCHEMBL25404170 0.86 TP53 (0.64) TP53NPC1RAB9AKDM4EMAPT
SCHEMBL25189182 0.78 RIOK2 (0.60) TP53NPC1RAB9AKDM4EMAPT
SCHEMBL25402398 0.78 F2 (0.59) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL25407042 0.77 TP53 (0.65) TP53NPC1RAB9AKDM4EMAPT
SCHEMBL25405258 0.77 ALDH1A1 (0.66) TP53NPC1RAB9AKDM4EMAPT
SCHEMBL25404025 0.76 NPC1 (0.53) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25405854 0.75 RAB9A (0.67) TP53NPC1RAB9AKDM4EMAPT
SCHEMBL3932265 0.75 RIOK2 (0.57) TP53ALDH1A1SMN1; SMN2RIOK2MAPK10
SCHEMBL25406525 0.75 KDR (0.71) TP53ALDH1A1RIOK2MAPK10GSK3A
SCHEMBL25402019 0.74 NR3C2 (0.67) TP53ALDH1A1SMN1; SMN2RIOK2MAPK10

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
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO claimed
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed