SCHEMBL7325829

SCHEMBL7325829

O=c1ccc2cc(-n3cnnc3)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 9/20 0.37
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
AR P10275 1/20 0.33
F9 P00740 3/20 0.33
F10 P00742 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7354943 0.78 HCAR1 (0.40) HCAR1CA12CA9F9
SCHEMBL20660673 0.76 CA12 (0.44) HCAR1CA12CA9ARTHRB
SCHEMBL7324054 0.76 HCAR1 (0.38) HCAR1CA12CA9THRBHPGD
SCHEMBL15828550 0.74 HCAR1 (0.37) HCAR1CA12CA9ARTHRB
SCHEMBL31118648 0.73 F11 (0.46) HCAR1CA12CA9ARTHRB
SCHEMBL19751539 0.73 CA12 (0.46) HCAR1CA12CA9ARHPGD
SCHEMBL5134130 0.67 CA12 (0.59) HCAR1CA12CA9HPGDSMN1; SMN2
SCHEMBL7311415 0.64 PDE3B (0.45) HCAR1
SCHEMBL7349312 0.63 PDE3B (0.50)
SCHEMBL7315492 0.63 NOTUM (0.40) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900839-A SUBSTITUTED PHENYLPROPENAMIDES PFIZER INC. (US) 1990-02-13 US disclosed
US-4837334-A Precursors to quinolone inotropic agents PFIZER INC. (US) 1989-06-06 US disclosed
US-4728653-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1988-03-01 US disclosed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP disclosed