SCHEMBL19554232

SCHEMBL19554232

COc1cc(NC(=O)c2ccc3cc(C)ccc3c2)c(-n2nn[nH]c2=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PDE4D Q08499 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL19554374 0.92 KDM4E (0.49) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19554377 0.90 SMN1; SMN2 (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19554142 0.88 MAPT (0.49) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19554220 0.87 KDM4E (0.42) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19554871 0.85 F10 (0.48) MEN1KMT2ASMN1; SMN2NPC1AHR
SCHEMBL19554361 0.83 HDAC1 (0.41) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19555285 0.82 NPC1 (0.45) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19554101 0.81 CYP1A2 (0.45) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19575799 0.80 MAPT (0.47) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19554930 0.79 GPR35 (0.42) MAPTLMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed