SCHEMBL7913358

SCHEMBL7913358

COc1ccc(-c2nnc(Nc3cc(C)ccc3C)c3cc(C)c(C)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
MAPT P10636 8/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 1/20 0.46
KDR P35968 2/20 0.43
GAA P10253 1/20 0.43
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP3 O14638 1/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.90 THRB (0.55) THRBMAPTTP53KDRGAA
SCHEMBL7913339 0.89 THRB (0.62) THRBMAPTTP53LMNAKDR
SCHEMBL7912149 0.86 THRB (0.50) THRBMAPTTP53LMNAKDR
SCHEMBL7918649 0.83 MAPT (0.54) MAPTTP53LMNAGAAALDH1A1
SCHEMBL7913404 0.83 MAPT (0.50) MAPTTP53LMNAGAAALDH1A1
SCHEMBL7914883 0.80 MAPT (0.62) THRBMAPTTP53LMNAKDR
SCHEMBL7918641 0.79 MAPT (0.45) MAPTTP53LMNAGAACNR1
SCHEMBL7918619 0.78 THRB (0.69) THRBMAPTTP53KDRGAA
SCHEMBL7904904 0.77 CA1 (0.50) MAPTTP53LMNAKDRALDH1A1
SCHEMBL7913378 0.77 MAPT (0.55) MAPTTP53LMNAGAAALDH1A1

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