SCHEMBL7912149

SCHEMBL7912149

COc1cc2c(Nc3cc(C)ccc3C)nnc(-c3ccc(C)cc3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.46
KDR P35968 3/20 0.44
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 3/20 0.40
ENPP3 O14638 1/20 0.40
GPR174 Q9BXC1 1/20 0.40
POLB P06746 3/20 0.39
PRNP P04156 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL7904610 0.88 THRB (0.55) THRBMAPTGAAKDRALDH1A1
SCHEMBL7913358 0.86 THRB (0.49) THRBMAPTGAAKDRALDH1A1
SCHEMBL7913378 0.83 MAPT (0.55) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL7918619 0.82 THRB (0.69) THRBMAPTGAAKDRALDH1A1
SCHEMBL7915059 0.81 NPSR1 (0.52) THRBMAPTGAAKDRRET
SCHEMBL7913339 0.81 THRB (0.62) THRBMAPTGAAKDRALDH1A1
SCHEMBL7918649 0.80 MAPT (0.54) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL7915119 0.79 MAPT (0.43) MAPTGAAKDRALDH1A1KDM4E
SCHEMBL7904829 0.76 THRB (0.66) THRBMAPTGAAKDRALDH1A1
SCHEMBL7914922 0.76 MAPT (0.58) MAPTKDRALDH1A1KDM4ELMNA

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