SCHEMBL31144985

SCHEMBL31144985

CC(C)Cn1cnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 4/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CHRM1 P11229 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL31144872 0.77 KDM4E (0.56) POLBKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL31144950 0.75 MAPT (0.41) POLBKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL31144951 0.74 LMNA (0.40) POLBKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL848265 0.73 POLB (0.44) POLBPKMSMN1; SMN2NPC1RAB9A
SCHEMBL31144864 0.73 MEN1 (0.49) POLBKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL30632281 0.72 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2ATMNPC1
SCHEMBL17008860 0.68 ALDH1A1 (0.35) POLBKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL31437774 0.65 ALDH1A1 (0.49) POLBALDH1A1PKMMAPK1ATM
SCHEMBL24728704 0.63 L3MBTL1 (0.47) POLBALDH1A1PKMSMN1; SMN2MAPK1
SCHEMBL22576442 0.63 SMN1; SMN2 (0.50) POLBKDM4EALDH1A1SMN1; SMN2LMNA

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-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed