SCHEMBL7914922

SCHEMBL7914922

COc1cc2c(Nc3cccc(Cl)c3)nnc(-c3ccc(C)cc3)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
PDE5A O76074 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PDE1A P54750 1/20 0.58
PDE1B Q01064 1/20 0.58
PDE3B Q13370 1/20 0.58
PDE1C Q14123 1/20 0.58
PDE3A Q14432 1/20 0.58
EGFR P00533 5/20 0.54
MAPK1 P28482 2/20 0.54

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
SCHEMBL7912167 0.88 MAPT (0.63) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7915059 0.87 NPSR1 (0.52) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7912100 0.84 MAPT (0.81) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7904976 0.84 MAPT (0.58) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7904904 0.79 CA1 (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7918387 0.79 MAPT (0.75) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7914879 0.79 EGFR (0.53) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7915119 0.77 MAPT (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7912095 0.77 MAPT (0.62) MAPTALDH1A1HPGDEGFRLMNA
SCHEMBL7913307 0.77 NPSR1 (0.53) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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