SCHEMBL38660433

SCHEMBL38660433

Cc1noc(C)c1COc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL38661291 0.86 ALDH1A1 (0.73) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38660615 0.85 AKR1C3 (0.71) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38661286 0.85 AKR1C3 (0.67) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38660188 0.85 LMNA (0.66) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38661596 0.84 LMNA (0.74) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38661951 0.84 MAPT (0.65) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38660616 0.83 LMNA (0.75) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38660245 0.82 AKR1C3 (0.67) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38660075 0.82 MAPT (0.63) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL38660187 0.82 LMNA (0.64) AKR1C3MAPTSMN1; SMN2LMNAHPGD

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
CN-122036638-A AKR1C3 inhibitor with tricyclic structure and application thereof 中国药科大学 2026-05-15 CN disclosed