SCHEMBL9693489

SCHEMBL9693489

O=C1NC(=O)/C(=C\c2cc(N3CCCC3)ccc2[N+](=O)[O-])N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.51
ALDH1A1 P00352 9/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.49
KMT2A Q03164 4/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 3/20 0.46
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9693493 1.00 MAPT (0.51) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL9691943 0.99 HPGD (0.51) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL9691948 0.99 HPGD (0.51) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL9693737 0.90 MAPT (0.49) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL9693796 0.90 MAPT (0.59) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL9693799 0.90 MAPT (0.59) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL9693731 0.90 MAPT (0.49) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL9691833 0.83 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL1846455 0.83 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL1846457 0.83 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1LMNAKMT2A

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