SCHEMBL7915128

SCHEMBL7915128

Cc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 2/20 0.52
PDE5A O76074 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE1C Q14123 1/20 0.52
PDE3A Q14432 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR174 Q9BXC1 2/20 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
SCHEMBL7912114 0.90 MAPT (0.62) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL7904829 0.79 THRB (0.66) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL7913372 0.79 KDR (0.72) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL7915118 0.78 MAPT (0.55) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL7914733 0.78 MAPT (0.59) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL7904970 0.77 MAPT (0.54) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL8011268 0.77 MAPT (0.54) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL8011274 0.77 ALDH1A1 (0.59) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL8021598 0.75 NPSR1 (0.79) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL7904940 0.75 ENPP3 (0.70) MAPTGAAALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 US disclosed
EP-0975605-A1 PYRIDAZINE AND PHTHALAZINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998046574-A1 PYRIDAZINE AND PHTHALAZINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-10-22 WO disclosed