SCHEMBL7325260

SCHEMBL7325260

Cc1cc(-n2cnc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
AR P10275 2/20 0.41
SIRT6 Q8N6T7 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL9699641 0.82 HPGD (0.51) HPGDMAPTPOLBTSHRCYP1A2
SCHEMBL11901195 0.78 PTGS1 (0.47) MAPTPOLBALDH1A1PTGS2MEN1
SCHEMBL1836548 0.78 HPGD (0.47) HPGDARSIRT6MAPTPOLB
SCHEMBL4908896 0.77 MAPT (0.46) HPGDMAPTTSHRALDH1A1KDM4E
SCHEMBL7311809 0.76 HPGD (0.56) HPGDMAPTPOLBTSHRALDH1A1
SCHEMBL12402474 0.75 HPGD (0.47) HPGDMAPTPOLBTSHRPTGS2
SCHEMBL11901675 0.75 TLR2 (0.38) TSHRALDH1A1PTGS2CYP3A4PTGS1
SCHEMBL11901049 0.74 TLR2 (0.48) TSHRALDH1A1PTGS2SMN1; SMN2MEN1
SCHEMBL1831803 0.74 TRPC3 (0.50) HPGDTSHRKDM4EPTGS2LMNA
SCHEMBL8819363 0.73 PTGS2 (0.40) TSHRPTGS2LMNACYP1A2CYP3A4

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 5 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
CN-85104392-A The preparation method of quinolone inotropic agents 1986-12-24 CN disclosed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP disclosed