SCHEMBL31497191

SCHEMBL31497191

O=C(NNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MEN1 O00255 6/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 3/20 0.59
GAA P10253 1/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.57
THRB P10828 1/20 0.57
F2 P00734 1/20 0.56

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
SCHEMBL28347687 1.00 KMT2A (0.64) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL6197047 0.83 KMT2A (0.66) KMT2AMEN1MAPTLMNAHTT
SCHEMBL31216547 0.80 TSHR (0.68) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL11791030 0.80 MEN1 (0.69) KMT2AMEN1SMN1; SMN2HTTGAA
SCHEMBL6458171 0.80 KMT2A (0.77) KMT2AMEN1MAPTLMNAHTT
SCHEMBL6555296 0.79 HTT (0.61) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL4603889 0.79 ALDH1A1 (0.75) KMT2AMEN1MAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28794452 0.78 HTT (0.60) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL20522035 0.78 HTT (0.60) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11888655 0.77 SMN1; SMN2 (0.67) KMT2AMEN1MAPTLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136858-A Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2025-06-13 CN disclosed
CN-110709394-B Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2025-02-21 CN disclosed