SCHEMBL27365749

SCHEMBL27365749

NC(=O)CCc1nc(C2CCCC2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
KLF5 Q13887 1/20 0.42
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CNR2 P34972 1/20 0.37
ATM Q13315 1/20 0.36
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL24092039 0.73 POLB (0.40) AKR1C4AKR1C3AKR1C2AKR1C1SMN1; SMN2
SCHEMBL9593395 0.72 NPC1 (0.45) SMN1; SMN2RAB9AHPGDALDH1A1MEN1
SCHEMBL17887750 0.72 POLB (0.40) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL19193199 0.72 POLB (0.44) SMN1; SMN2RAB9AHPGDALDH1A1MEN1
SCHEMBL1786515 0.72 L3MBTL1 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL24258804 0.72 AKR1C4 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL6332424 0.71 USP7 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1TP53
SCHEMBL6207925 0.71 CA1 (0.35) AKR1C4AKR1C3AKR1C2AKR1C1POLB
SCHEMBL6328563 0.71 LDHA (0.40) AKR1C4AKR1C3AKR1C2AKR1C1TP53
SCHEMBL23578161 0.71 POLB (0.41) AKR1C4AKR1C3AKR1C2AKR1C1SMN1; SMN2

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-2024059878-A9 DRUGS TARGETING TELOMERASE REVERSE TRANSCRIPTASE (TERT) FOR TREATMENT OF CANCERS BROWN UNIVERSITY (US) 2024-07-04 WO disclosed