SCHEMBL9693533

SCHEMBL9693533

CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C=C3NC(=O)NC3=O)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 3/20 0.61
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
LGMN Q99538 2/20 0.47
CTSB P07858 1/20 0.46
VCAM1 P19320 1/20 0.44
PDK2 Q15119 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 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
SCHEMBL9693529 1.00 MAPT (0.61) MAPTALDH1A1TP53HTTLGMN
SCHEMBL9693729 0.90 ALDH1A1 (0.51) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9693725 0.90 ALDH1A1 (0.51) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9691817 0.86 MAPT (0.53) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9691823 0.86 MAPT (0.53) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9692032 0.83 MAPT (0.72) MAPTALDH1A1TP53HTTLGMN
SCHEMBL9694051 0.81 PDE3B (0.49) MAPTALDH1A1TP53MEN1KMT2A
SCHEMBL9694044 0.81 PDE3B (0.49) MAPTALDH1A1TP53MEN1KMT2A
SCHEMBL9693493 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9693489 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E

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