SCHEMBL7433808

SCHEMBL7433808

CCCCc1ccc(N)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 1/20 0.46
EIF4A1 P60842 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
PKM P14618 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7441450 0.96 KCNH2 (0.45) SKP2ALDH1A1MAPTMAPK1EIF4A1
SCHEMBL7445710 0.93 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL9172285 0.81 TSHR (0.59) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL7430201 0.80 PDE4A (0.49) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL7441776 0.79 MAPT (0.46) ALDH1A1MAPTMAPK1RAB9AGAA
SCHEMBL29155287 0.79 KCNH2 (0.42) ALDH1A1MAPTMAPK1EIF4A1MEN1
SCHEMBL23432416 0.78 SKP2 (0.59) SKP2ALDH1A1
SCHEMBL7445191 0.78 MEN1 (0.47) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL9175089 0.77 TSHR (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6570708 0.77 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ARAB9A

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