SCHEMBL7914973

SCHEMBL7914973

Brc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.73
KMT2A Q03164 5/20 0.73
HTT P42858 4/20 0.73
MEN1 O00255 4/20 0.73
ALDH1A1 P00352 4/20 0.73
LMNA P02545 3/20 0.73
MAPT P10636 2/20 0.73
SMN1; SMN2 Q16637 3/20 0.66
ABCG2 Q9UNQ0 1/20 0.55
ADORA2A P29274 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.41

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
SCHEMBL27965124 0.89 KMT2A (0.79) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7913323 0.84 KMT2A (0.73) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7914925 0.84 NPSR1 (0.78) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7904930 0.84 NPSR1 (1.00) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7915167 0.84 HTT (0.73) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7914915 0.84 HTT (0.61) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7912126 0.81 KMT2A (0.68) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7918574 0.81 NPSR1 (0.72) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7918635 0.81 HTT (0.72) NPSR1KMT2AHTTMEN1ALDH1A1
SCHEMBL7918468 0.81 NPSR1 (0.69) NPSR1KMT2AHTTMEN1ALDH1A1

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