SCHEMBL30740871

SCHEMBL30740871

CCOC(=O)c1cc[nH]c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.46
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.43
CACNA1D Q01668 3/20 0.43
CACNA1C Q13936 2/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1S Q13698 1/20 0.43

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
SCHEMBL16416093 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL30885778 0.84 KMT2A (0.54) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL1920261 0.81 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL30741039 0.79 CDC7 (0.57) ALDH1A1MAPTGAALMNAHTT
SCHEMBL1523174 0.79 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL29551824 0.79 CDC7 (0.58) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL14502390 0.79 TSHR (0.51) ALDH1A1MAPTTSHRHPGDNPSR1
SCHEMBL8129215 0.78 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL29158689 0.77 CDC7 (0.56) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL276916 0.76 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
WO-2025008012-A1 PYRROLOQUINOLINES AND THEIR USE AS TUBULINE ASSEMBLY INHIBITORS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2025-01-09 WO disclosed
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed