SCHEMBL7904940

SCHEMBL7904940

Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.70
KDR P35968 1/20 0.70
NPSR1 Q6W5P4 4/20 0.67
GAA P10253 2/20 0.66
ALDH1A1 P00352 4/20 0.65
THRB P10828 2/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 5/20 0.62
TP53 P04637 2/20 0.62
HPGD P15428 3/20 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
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

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
SCHEMBL7918566 0.95 ENPP3 (0.76) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL7905029 0.94 NPSR1 (0.73) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL8021598 0.89 NPSR1 (0.79) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL580813 0.86 ENPP3 (0.70) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL7913363 0.85 NPSR1 (0.57) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL7905054 0.85 NPSR1 (0.57) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL7915123 0.84 KDR (0.70) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL581896 0.84 GAA (0.91) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL7915165 0.84 ALDH1A1 (0.72) ENPP3KDRNPSR1GAAALDH1A1
SCHEMBL7913355 0.84 GAA (0.66) ENPP3KDRNPSR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56053659-A None JP disclosed
JP-56053660-A None JP disclosed
US-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 US disclosed
JP-S5653659-A BLOOD PLATELET COAGULATION SUPPRESSING AGENT MITSUBISHI YUKA YAKUHIN KK 1981-05-13 JP disclosed
JP-S5653660-A 4-PHENYLPHTHALAZINE DERIVATIVE MITSUBISHI YUKA YAKUHIN KK 1981-05-13 JP disclosed