SCHEMBL7913338

SCHEMBL7913338

Cc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.72
MAPT P10636 6/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
ALDH1A1 P00352 2/20 0.71
KDM4E B2RXH2 1/20 0.71
PDE5A O76074 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
HPGD P15428 1/20 0.71
ALOX15 P16050 1/20 0.71
CYP2C19 P33261 1/20 0.71
PDE1A P54750 1/20 0.71
PDE1B Q01064 1/20 0.71
PDE3B Q13370 1/20 0.71
PDE1C Q14123 1/20 0.71
PDE3A Q14432 1/20 0.71
HSD17B10 Q99714 1/20 0.71
TP53 P04637 5/20 0.66

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
SCHEMBL8021598 0.85 NPSR1 (0.79) KDRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31060122 0.84 KDR (1.00) KDRMAPTALDH1A1TP53NPSR1
SCHEMBL7905054 0.84 NPSR1 (0.57) KDRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7913363 0.84 NPSR1 (0.57) KDRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7905029 0.84 NPSR1 (0.73) KDRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7904940 0.84 ENPP3 (0.70) KDRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL806103 0.83 KDR (0.78) KDRMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL806072 0.83 KDR (0.71) KDRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1752920 0.83 MAPT (1.00) KDRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7912141 0.83 KDR (0.72) KDRMAPTSMN1; SMN2ALDH1A1KDM4E

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