SCHEMBL4563284

SCHEMBL4563284

CCC(c1ccccc1)c1cc(C(N)=O)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
TACR3 P29371 10/20 0.46
TACR2 P21452 2/20 0.46
KDM4E B2RXH2 1/20 0.44
RPS6KB1 P23443 1/20 0.42
GRM2 Q14416 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
DHODH Q02127 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
SCHEMBL5819716 0.84 NCOA1 (0.47) NCOA1NCOA3TACR3TACR2KDM4E
SCHEMBL2402485 0.83 NCOA1 (0.55) NCOA1NCOA3TACR3KDM4ERPS6KB1
SCHEMBL30604087 0.81 NCOA1 (0.52) NCOA1NCOA3TACR3KDM4ERPS6KB1
SCHEMBL30647460 0.80 NCOA1 (0.57) NCOA1NCOA3TACR3KDM4EGRM2
SCHEMBL30604071 0.80 KDM4E (0.49) NCOA1NCOA3TACR3KDM4ERPS6KB1
SCHEMBL30604085 0.78 KDM4E (0.47) NCOA1NCOA3TACR3KDM4ELMNA
SCHEMBL30604131 0.78 KDM4E (0.47) NCOA1NCOA3TACR3KDM4ELMNA
SCHEMBL2462376 0.77 NCOA1 (0.54) NCOA1NCOA3TACR3KDM4EGRM2
SCHEMBL2402873 0.77 NCOA1 (0.54) NCOA1NCOA3TACR3KDM4EGRM2
SCHEMBL30604108 0.77 NCOA1 (0.48) NCOA1NCOA3TACR3KDM4ERPS6KB1

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-2137155-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES AstraZeneca AB (SE) 2009-12-30 EP disclosed
WO-2008115140-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO disclosed