SCHEMBL7914641

SCHEMBL7914641

COc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
POLB P06746 2/20 0.64
PRNP P04156 1/20 0.64
RECQL P46063 1/20 0.64
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 1/20 0.62
ABCG2 Q9UNQ0 5/20 0.60
ABCB1 P08183 3/20 0.60
ABCC1 P33527 2/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
PDE5A O76074 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL4075273 0.82 POLB (0.68) MAPTPOLBPRNPRECQLABCG2
SCHEMBL3021512 0.82 MAPT (0.81) MAPTPOLBRECQLALDH1A1KDM4E
SCHEMBL7914879 0.82 EGFR (0.53) MAPTPOLBPRNPRECQLALDH1A1
SCHEMBL7912132 0.82 CA1 (0.69) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL3764417 0.81 SHMT2 (0.60) MAPTPOLBPRNPRECQLABCG2
SCHEMBL7904923 0.80 MAPT (0.63) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL7918610 0.80 MEN1 (0.56) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL8021598 0.78 NPSR1 (0.79) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL2210475 0.78 MAPT (0.56) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL7904940 0.77 ENPP3 (0.70) MAPTPOLBALDH1A1KDM4EHPGD

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