SCHEMBL9645150

SCHEMBL9645150

O=C(NCc1cccc2ccccc12)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNA4 P43681 1/20 0.61
HTT P42858 3/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CTSD P07339 1/20 0.55
ATG4B Q9Y4P1 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CA2 P00918 1/20 0.52
MAPT P10636 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
SCHEMBL19246201 0.86 HPGD (0.64) HTTMAPK1SMN1; SMN2HPGDALDH1A1
SCHEMBL9646348 0.82 CTSD (0.63) HTTMAPK1SMN1; SMN2HPGDALDH1A1
SCHEMBL30236290 0.80 KMT2A (0.75) CHRNB2CHRNA4HTTHPGDALDH1A1
SCHEMBL19246188 0.80 KMT2A (0.75) CHRNB2CHRNA4HTTHPGDALDH1A1
SCHEMBL6824966 0.78 CHRNB2 (0.67) CHRNB2CHRNA4HPGDALDH1A1MEN1
SCHEMBL6824957 0.78 CHRNB2 (0.67) CHRNB2CHRNA4SMN1; SMN2HPGDMEN1
SCHEMBL6361733 0.78 CHRNB2 (0.67) CHRNB2CHRNA4HTTHPGDALDH1A1
SCHEMBL9647881 0.77 HPGD (0.72) HTTSMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL6900995 0.77 CYP1A2 (0.63) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MEN1
SCHEMBL9647861 0.77 HPGD (0.65) HTTMAPK1SMN1; SMN2HPGDALDH1A1

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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed