SCHEMBL7430201

SCHEMBL7430201

Nc1ccc(Cc2ccccc2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
ALDH1A1 P00352 7/20 0.48
HDAC2 Q92769 1/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
PLA2G2A P14555 2/20 0.44
PLA2G10 O15496 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
GFER P55789 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
SCHEMBL7357411 0.88 PDE4B (0.64) PDE4APDE4BALDH1A1MAPTNPC1
SCHEMBL7351346 0.81 PDE4A (0.47) PDE4APDE4BALDH1A1HDAC2MAPT
SCHEMBL7445710 0.81 ALDH1A1 (0.52) PDE4APDE4BALDH1A1MAPTNPC1
SCHEMBL5250015 0.81 TSHR (0.65) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL29864638 0.81 TSHR (0.65) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL7433808 0.80 SKP2 (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7441776 0.80 MAPT (0.46) PDE4APDE4BALDH1A1HDAC2MAPT
SCHEMBL2717128 0.79 ALDH1A1 (0.55) ALDH1A1HDAC2MAPTNPC1RAB9A
SCHEMBL7445191 0.79 MEN1 (0.47) PDE4APDE4BALDH1A1MAPTNPC1
SCHEMBL7441450 0.79 KCNH2 (0.45) ALDH1A1MAPTRAB9AKDM4EGAA

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