SCHEMBL7918665

SCHEMBL7918665

COc1ccc(OC)c(Oc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
NPSR1 Q6W5P4 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
LRRK2 Q5S007 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL7914889 0.92 HTT (0.64) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7914925 0.84 NPSR1 (0.78) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7915135 0.83 NPSR1 (0.65) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL3021712 0.80 HTT (0.73) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL27956430 0.77 ALDH1A1 (0.69) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL13996077 0.77 NPSR1 (0.66) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL16384116 0.76 NPSR1 (0.69) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL27965124 0.76 KMT2A (0.79) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7904930 0.76 NPSR1 (1.00) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7918610 0.75 MEN1 (0.56) HTTNPSR1LMNAMEN1KMT2A

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