SCHEMBL7311809

SCHEMBL7311809

Cc1cc(-n2cnnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
MAPT P10636 3/20 0.47
TSHR P16473 3/20 0.46
CYP19A1 P11511 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL1839319 0.81 HPGD (0.51) HPGDMAPTCYP19A1CYP3A4
SCHEMBL9699641 0.81 HPGD (0.51) HPGDMAPTTSHRCYP19A1HSD17B10
SCHEMBL7314011 0.78 MAPT (0.57) HPGDMAPTTSHRALDH1A1KMT2A
SCHEMBL7314541 0.76 SIRT6 (0.57) HPGDMAPTTSHRCYP19A1CYP3A4
SCHEMBL7325260 0.76 HPGD (0.46) HPGDMAPTTSHRHSD17B10CYP3A4
SCHEMBL4908896 0.76 MAPT (0.46) HPGDMAPTTSHRALDH1A1KDM4E
SCHEMBL29697321 0.75 HPGD (0.51) HPGDMAPTTSHRCYP19A1HSD17B10
SCHEMBL10727148 0.75 HPGD (0.51) HPGDMAPTTSHRCYP19A1HSD17B10
SCHEMBL4764865 0.75 HPGD (0.51) HPGDMAPTTSHRALDH1A1POLB
SCHEMBL12841361 0.74 CYP1A2 (0.47) HPGDMAPTCYP3A4ALDH1A1POLB

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 7 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
CN-85104392-A The preparation method of quinolone inotropic agents 1986-12-24 CN 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