SCHEMBL7912079

SCHEMBL7912079

CCCCOc1cccc(Oc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
TP53 P04637 1/20 0.60
NPSR1 Q6W5P4 5/20 0.59
HTT P42858 4/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
DHODH Q02127 1/20 0.47
LTA4H P09960 2/20 0.46
SOAT1 P35610 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7904969 0.94 HTT (0.58) MAPTTP53NPSR1HTTALDH1A1
SCHEMBL7913357 0.84 NPSR1 (0.56) MAPTTP53NPSR1HTTALDH1A1
SCHEMBL7915135 0.82 NPSR1 (0.65) MAPTTP53NPSR1HTTALDH1A1
SCHEMBL7912131 0.80 NPSR1 (0.65) MAPTTP53NPSR1HTTALDH1A1
SCHEMBL7913387 0.79 NPSR1 (0.87) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL7914915 0.77 HTT (0.61) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL7914758 0.77 NPSR1 (0.61) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL7913320 0.77 NPSR1 (0.61) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL7904890 0.77 NPSR1 (0.61) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL7918635 0.77 HTT (0.72) MAPTTP53NPSR1HTTALDH1A1

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