SCHEMBL7905054

SCHEMBL7905054

Cc1ccc2c(-c3ccccc3)nnc(Nc3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
PDE5A O76074 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE1C Q14123 1/20 0.57
PDE3A Q14432 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ENPP3 O14638 3/20 0.53

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
SCHEMBL7913363 0.94 NPSR1 (0.57) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7913354 0.85 MAPT (0.54) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7905029 0.85 NPSR1 (0.73) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7904940 0.85 ENPP3 (0.70) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7912315 0.85 NPSR1 (0.56) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7912137 0.84 NPSR1 (0.56) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7913338 0.84 KDR (0.72) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL8021598 0.82 NPSR1 (0.79) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7913307 0.82 NPSR1 (0.53) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL7913778 0.80 MAPT (0.54) NPSR1MAPTKDM4EALDH1A1HPGD

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 1 patent. 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