SCHEMBL7323666

SCHEMBL7323666

Cc1cn(-c2ccc([N+](=O)[O-])c(C)c2)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 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
SCHEMBL10462119 0.86 HPGD (0.52) HPGDMAPTPOLBTSHRHSD17B10
SCHEMBL22418936 0.83 ALDH1A1 (0.54) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL7322618 0.82 SIRT6 (0.53) HPGDMAPTPOLBTSHRGAA
SCHEMBL9699641 0.73 HPGD (0.51) HPGDMAPTPOLBTSHRHSD17B10
SCHEMBL4908615 0.72 HPGD (0.47) HPGDMAPTPOLBTSHRNPC1
SCHEMBL7311809 0.72 HPGD (0.56) HPGDMAPTPOLBTSHRHSD17B10
SCHEMBL12680066 0.72 HPGD (0.52) HPGDMAPTTSHRHSD17B10LMNA
SCHEMBL85896 0.72 HPGD (0.52) HPGDMAPTPOLBTSHRHSD17B10
SCHEMBL18157337 0.71 LMNA (0.52) HPGDMAPTPOLBTSHRGAA
SCHEMBL12362338 0.71 HPGD (0.51) HPGDMAPTPOLBTSHRHSD17B10

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 6 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-4783467-A Tetrahydroimidazoquinazolinone inotropic agents PFIZER INC. (US) 1988-11-08 US disclosed
US-4728653-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1988-03-01 US disclosed
EP-0205280-A2 Tetrahydroimidazoquinazolinone cardiac stimulants Pfizer Limited (GB) 1986-12-17 EP disclosed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP disclosed