SCHEMBL29988254

SCHEMBL29988254

CCOC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 4/20 0.51
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX12 P18054 1/20 0.51
USP2 O75604 1/20 0.50
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL29988060 0.82 RAB9A (0.63) KDM4ERAB9ANPC1MAPTUSP2
SCHEMBL21384357 0.78 RAB9A (0.57) KDM4ERAB9ANPC1USP2POLB
SCHEMBL25961399 0.78 RAB9A (0.68) KDM4ERAB9ANPC1TSHRHSD17B10
SCHEMBL1440788 0.78 ALDH1A1 (0.53) KDM4ERAB9ANPC1MAPTTSHR
SCHEMBL2351379 0.77 TSHR (0.79) KDM4ENPC1MAPTTSHRHSD17B10
SCHEMBL2032657 0.77 PTGES (0.60) KDM4EMAPTTSHRHSD17B10ALOX12
SCHEMBL21384509 0.76 RAB9A (0.68) KDM4ERAB9ANPC1TSHRHSD17B10
SCHEMBL408423 0.75 ALDH1A1 (0.50) KDM4ERAB9ANPC1MAPTTSHR
SCHEMBL18711352 0.75 RAB9A (0.63) KDM4ERAB9ANPC1ALOX12USP2
SCHEMBL2026608 0.75 PTGES (0.62) KDM4EMAPTTSHRHSD17B10ALOX12

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-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 WO disclosed