SCHEMBL7918635

SCHEMBL7918635

CCc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.72
NPSR1 Q6W5P4 4/20 0.72
KMT2A Q03164 4/20 0.72
LMNA P02545 3/20 0.72
MEN1 O00255 3/20 0.72
ALDH1A1 P00352 3/20 0.72
MAPT P10636 2/20 0.72
SMN1; SMN2 Q16637 6/20 0.65
TP53 P04637 4/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.44

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
SCHEMBL7912131 0.87 NPSR1 (0.65) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL27965124 0.85 KMT2A (0.79) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL7904930 0.84 NPSR1 (1.00) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL7914925 0.84 NPSR1 (0.78) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL7915167 0.81 HTT (0.73) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL7914973 0.81 NPSR1 (0.73) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL7913323 0.81 KMT2A (0.73) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL7918574 0.80 NPSR1 (0.72) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL3021712 0.79 HTT (0.73) HTTNPSR1KMT2ALMNAMEN1
SCHEMBL7914894 0.78 NPSR1 (0.57) HTTNPSR1KMT2ALMNAMEN1

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