SCHEMBL22864232

SCHEMBL22864232

CC(C)(C)NCCc1cccc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.46
HTR5A P47898 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
GLO1 Q04760 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL22864224 0.82 SLC40A1 (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL22864223 0.81 ALDH1A1 (0.42) HDAC6MEN1KMT2AKDM4EMAPT
SCHEMBL22864227 0.80 METAP2 (0.44) MEN1KMT2ARAB9AGLO1SMN1; SMN2
SCHEMBL22864222 0.80 ALDH1A1 (0.34) MEN1KMT2AKDM4EMAPTCYP2D6
SCHEMBL22493402 0.79 P2RX7 (0.37)
SCHEMBL22864147 0.78 PSMD14 (0.46) KMT2ANPC1HTTKDM4EMAPT
SCHEMBL22864229 0.77 CCR1 (0.41) MEN1KMT2ANPC1RAB9AALOX15
SCHEMBL1709266 0.76 KDM4E (0.50) HDAC6HTR5AMEN1KMT2ANPC1
SCHEMBL11497619 0.76 HDAC6 (0.47) HDAC6HTR5AMEN1KMT2ANPC1
SCHEMBL19272587 0.76 HDAC6 (0.44) HDAC6HTR5AMEN1KMT2ANPC1

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
WO-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 WO disclosed