SCHEMBL9691817

SCHEMBL9691817

CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])c(/C=C3/NC(=O)NC3=O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.53
ALDH1A1 P00352 6/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
GPR174 Q9BXC1 2/20 0.43
POLB P06746 1/20 0.43
JAK3 P52333 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL9691823 1.00 MAPT (0.53) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL9693529 0.86 MAPT (0.61) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9693533 0.86 MAPT (0.61) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL1846455 0.82 ALDH1A1 (0.59) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1846457 0.82 ALDH1A1 (0.59) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL9691833 0.82 ALDH1A1 (0.59) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL9694313 0.82 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL9693489 0.82 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL9693493 0.82 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL9693729 0.82 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2MAPK1HTT

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
EP-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
EP-0252503-A1 Aminoimidazoquinoline derivatives Bristol-Myers Squibb Company (US) 1988-01-13 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US disclosed