SCHEMBL9693799

SCHEMBL9693799

O=C1NC(=O)C(=Cc2cc(N3CCOCC3)ccc2[N+](=O)[O-])N1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.59
ALDH1A1 P00352 10/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 1/20 0.59
PKM P14618 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 3/20 0.48
CYP2C9 P11712 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL9693796 1.00 MAPT (0.59) MAPTALDH1A1KDM4EGAAPKM
SCHEMBL9693493 0.90 MAPT (0.51) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9693489 0.90 MAPT (0.51) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9693731 0.89 MAPT (0.49) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9693737 0.89 MAPT (0.49) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9691948 0.89 HPGD (0.51) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9691943 0.89 HPGD (0.51) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9691833 0.80 ALDH1A1 (0.59) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL1846455 0.80 ALDH1A1 (0.59) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL1846457 0.80 ALDH1A1 (0.59) MAPTALDH1A1KDM4EGAASMN1; SMN2

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