SCHEMBL7914889

SCHEMBL7914889

COc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.64
NPSR1 Q6W5P4 5/20 0.64
LMNA P02545 4/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.43

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
SCHEMBL7918665 0.92 HTT (0.60) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL7914925 0.84 NPSR1 (0.78) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL7915135 0.83 NPSR1 (0.65) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL3021712 0.80 HTT (0.73) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL27965124 0.79 KMT2A (0.79) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL7904930 0.79 NPSR1 (1.00) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL7913387 0.78 NPSR1 (0.87) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL27956430 0.77 ALDH1A1 (0.69) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL7915167 0.76 HTT (0.73) HTTNPSR1LMNAALDH1A1MAPT
SCHEMBL7913323 0.76 KMT2A (0.73) HTTNPSR1LMNAALDH1A1MAPT

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