SCHEMBL7428142

SCHEMBL7428142

Cc1ccc(Oc2cccc(C#N)c2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MERTK Q12866 1/20 0.43
VCAM1 P19320 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL16792376 0.89 MAPT (0.61) MAPTMERTKVCAM1ALDH1A1TSHR
SCHEMBL31176850 0.89 MAPT (0.61) MAPTMERTKVCAM1ALDH1A1TSHR
SCHEMBL31009358 0.84 AR (0.49) MAPTMERTKVCAM1ALDH1A1MEN1
SCHEMBL6578552 0.82 MERTK (0.53) MAPTMERTKVCAM1ALDH1A1PDE4A
SCHEMBL31176940 0.81 MAPT (0.49) MAPTMERTKVCAM1ALDH1A1TSHR
SCHEMBL20982744 0.81 MAPT (0.49) MAPTMERTKVCAM1ALDH1A1TSHR
SCHEMBL16792385 0.81 MERTK (0.55) MAPTMERTKVCAM1ALDH1A1TSHR
SCHEMBL2271210 0.81 SMN1; SMN2 (0.54) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL7429410 0.80 ALDH1A1 (0.61) MAPTMERTKVCAM1ALDH1A1PDE4A
SCHEMBL18165808 0.79 PDE4A (0.48) MAPTPDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed