SCHEMBL7905055

SCHEMBL7905055

Brc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.73
KDR P35968 4/20 0.70
GAA P10253 1/20 0.66
MAPT P10636 4/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
PDE5A O76074 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
PDE1A P54750 1/20 0.59
PDE1B Q01064 1/20 0.59
PDE3B Q13370 1/20 0.59
PDE1C Q14123 1/20 0.59
PDE3A Q14432 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL7915123 0.94 KDR (0.70) NPSR1KDRGAAMAPTKDM4E
SCHEMBL8021598 0.89 NPSR1 (0.79) NPSR1KDRGAAMAPTKDM4E
SCHEMBL7914924 0.84 NPSR1 (0.73) NPSR1KDRGAAMAPTKDM4E
SCHEMBL7918570 0.84 NPSR1 (1.00) NPSR1KDRGAAMAPTKDM4E
SCHEMBL7913416 0.84 NPSR1 (0.73) NPSR1KDRGAAMAPTKDM4E
SCHEMBL7905029 0.84 NPSR1 (0.73) NPSR1KDRGAAMAPTKDM4E
SCHEMBL7912141 0.84 KDR (0.72) NPSR1KDRGAAMAPTKDM4E
SCHEMBL7918628 0.81 MAPT (0.81) NPSR1KDRGAAMAPTKDM4E
SCHEMBL7912029 0.81 NPSR1 (0.72) NPSR1KDRGAAKDM4EALDH1A1
SCHEMBL7918566 0.79 ENPP3 (0.76) NPSR1KDRGAAMAPTKDM4E

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