SCHEMBL8024214

SCHEMBL8024214

N#Cc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1.O=C(c1ccccc1)c1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 2/20 0.55
HSD17B10 Q99714 2/20 0.55
PDE5A O76074 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE1C Q14123 1/20 0.55
PDE3A Q14432 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ABCG2 Q9UNQ0 7/20 0.54
KDR P35968 6/20 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
SCHEMBL8011189 0.90 MAPT (0.66) MAPTKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL8024108 0.90 MAPT (0.66) MAPTKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL787640 0.83 KDR (0.64) MAPTABCG2KDRNPSR1MEN1
SCHEMBL8010530 0.76 SMO (0.48) MAPTKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL8011266 0.75 MAPT (0.68) MAPTKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL7918654 0.74 MAPT (0.87) MAPTKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL8021598 0.73 NPSR1 (0.79) MAPTKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL806038 0.73 KDR (0.64) MAPTKDRNPSR1MEN1TP53
SCHEMBL4201889 0.71 ATM (0.63) ALDH1A1
SCHEMBL7912029 0.71 NPSR1 (0.72) KDM4EALDH1A1KDRNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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