SCHEMBL7905464

SCHEMBL7905464

Cc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
CA9 Q16790 1/20 0.62
KDR P35968 4/20 0.59
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 3/20 0.56
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PDE5A O76074 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 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
SCHEMBL8014060 0.90 MAPT (0.66) MAPTCA9KDRLMNANPSR1
SCHEMBL7904846 0.89 MAPT (0.55) MAPTCA9KDRLMNANPSR1
SCHEMBL7913259 0.89 CA9 (0.63) MAPTCA9KDRLMNANPSR1
SCHEMBL7913778 0.88 MAPT (0.54) MAPTCA9KDRLMNANPSR1
SCHEMBL7913354 0.88 MAPT (0.54) MAPTCA9KDRLMNANPSR1
SCHEMBL7914888 0.88 MAPT (0.64) MAPTCA9KDRLMNANPSR1
SCHEMBL7913328 0.87 KDR (0.69) MAPTCA9KDRLMNANPSR1
SCHEMBL7904950 0.84 KDR (0.66) MAPTCA9KDRLMNANPSR1
SCHEMBL7914880 0.84 MAPT (0.60) MAPTCA9KDRNPSR1HPGD
SCHEMBL7912120 0.84 MAPT (0.59) MAPTCA9KDRLMNANPSR1

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