SCHEMBL7314541

SCHEMBL7314541

O=[N+]([O-])c1ccc(-n2cnnc2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.57
POLB P06746 1/20 0.54
AR P10275 10/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 2/20 0.52
PGR P06401 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
PDE4D Q08499 1/20 0.52

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
SCHEMBL7311809 0.76 HPGD (0.56) POLBCYP3A4CYP1A2CYP2C9TSHR
SCHEMBL961124 0.76 SIRT6 (0.77) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL6498189 0.76 LMNA (0.62) SIRT6POLBARLMNASMN1; SMN2
SCHEMBL1353320 0.75 SIRT6 (0.59) SIRT6POLBARLMNASMN1; SMN2
SCHEMBL960384 0.75 LMNA (0.61) SIRT6POLBARLMNASMN1; SMN2
SCHEMBL12478451 0.75 SIRT6 (0.75) SIRT6LMNASMN1; SMN2CYP3A4CYP1A2
SCHEMBL28137192 0.75 SIRT6 (0.75) SIRT6LMNASMN1; SMN2CYP3A4CYP1A2
SCHEMBL29351198 0.74 SIRT6 (0.54) SIRT6POLBARLMNASMN1; SMN2
SCHEMBL213627 0.74 SIRT6 (0.54) SIRT6POLBARLMNASMN1; SMN2
SCHEMBL5174342 0.74 SIRT6 (0.54) SIRT6POLBARLMNASMN1; SMN2

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