SCHEMBL7914925

SCHEMBL7914925

COc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.78
HTT P42858 4/20 0.78
KMT2A Q03164 4/20 0.78
LMNA P02545 3/20 0.78
ALDH1A1 P00352 3/20 0.78
MEN1 O00255 3/20 0.78
MAPT P10636 3/20 0.78
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
TP53 P04637 3/20 0.56
THRB P10828 1/20 0.56
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL3021712 0.95 HTT (0.73) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL27965124 0.89 KMT2A (0.79) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL7904930 0.88 NPSR1 (1.00) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL13996077 0.87 NPSR1 (0.66) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL7915135 0.87 NPSR1 (0.65) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL16384116 0.85 NPSR1 (0.69) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL7913323 0.84 KMT2A (0.73) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL7915167 0.84 HTT (0.73) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL7914973 0.84 NPSR1 (0.73) NPSR1HTTKMT2ALMNAALDH1A1
SCHEMBL7918665 0.84 HTT (0.60) NPSR1HTTKMT2ALMNAALDH1A1

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