SCHEMBL7445191

SCHEMBL7445191

Nc1ccc(CC2CC2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LAP3 P28838 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
PKM P14618 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL7451130 0.95 MEN1 (0.46) MEN1KMT2ALAP3ALDH1A1MAPT
SCHEMBL8538970 0.94 POLB (0.45) MEN1KMT2ALAP3ALDH1A1MAPT
SCHEMBL7430201 0.79 PDE4A (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7445710 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7441776 0.78 MAPT (0.46) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL7433808 0.78 SKP2 (0.47) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7441450 0.77 KCNH2 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6570708 0.76 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7357411 0.76 PDE4B (0.64) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7446386 0.76 PDE4A (0.69) MEN1KMT2AALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed