SCHEMBL1900155

SCHEMBL1900155

O=C1Cc2cc(-c3ccc(Cl)cc3)ccc2N1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.77
PGR P06401 4/20 0.77
PDE3B Q13370 1/20 0.68
PDE3A Q14432 1/20 0.68
TDP2 O95551 3/20 0.66
CMA1 P23946 1/20 0.61
CYP1A2 P05177 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
GRIA1 P42261 3/20 0.58
CACNG8 Q8WXS5 3/20 0.58
GAA P10253 1/20 0.51
KIF11 P52732 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDK2 Q15119 1/20 0.48
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48

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
SCHEMBL154614 0.87 AHR (1.00) AHRPGRPDE3BPDE3ATDP2
SCHEMBL28203333 0.87 PGR (1.00) AHRPGRPDE3BPDE3ATDP2
SCHEMBL3519711 0.87 PGR (1.00) AHRPGRPDE3BPDE3ATDP2
SCHEMBL3307966 0.86 KIF11 (0.68) AHRPGRPDE3BPDE3ATDP2
SCHEMBL1896888 0.85 TDP2 (0.70) AHRPGRPDE3BPDE3ATDP2
SCHEMBL18189562 0.84 AHR (0.69) AHRPGRPDE3BPDE3ATDP2
SCHEMBL3132725 0.84 PGR (0.73) AHRPGRPDE3BPDE3ATDP2
SCHEMBL1900635 0.83 PDE3B (0.64) AHRPGRPDE3BPDE3ATDP2
SCHEMBL1897593 0.82 PDE3B (0.68) AHRPGRPDE3BPDE3ATDP2
SCHEMBL10711906 0.82 PDE3B (0.68) AHRPGRPDE3BPDE3ATDP2

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
WO-2011056985-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-05-12 WO disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 US disclosed