SCHEMBL31048660

SCHEMBL31048660

COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc3ncccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.57
▸ EGLN1 Q9GZT9 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ UBE2I P63279 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL25288117 1.00 HPGD (0.57) HPGDEGLN1LMNASMN1; SMN2MAPT
SCHEMBL31451668 0.78 HDAC1 (0.62) HPGDSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL3359400 0.78 HPGD (0.63) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15327108 0.77 EGLN1 (0.66) HPGDEGLN1LMNASMN1; SMN2MAPT
SCHEMBL450428 0.76 HPGD (0.61) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30437811 0.76 MAPT (0.52) EGLN1LMNASMN1; SMN2MAPTMEN1
SCHEMBL31048490 0.74 MEN1 (0.40) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL25286439 0.74 MEN1 (0.40) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27999859 0.74 HPGD (0.72) HPGDEGLN1LMNASMN1; SMN2MAPT
SCHEMBL7655824 0.74 HPGD (0.61) HPGDSMN1; SMN2MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 — — CN disclosed
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 — — CN disclosed
Send feedback