SCHEMBL22201482

SCHEMBL22201482

Cc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.64
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
NTSR1 P30989 1/20 0.60
POLB P06746 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
ABCB1 P08183 1/20 0.58
ABCC1 P33527 1/20 0.58
PDE5A O76074 1/20 0.57
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL5107131 0.86 MEN1 (0.73) ABCG2MEN1KMT2ANTSR1POLB
SCHEMBL2291715 0.78 MEN1 (0.67) ABCG2MEN1KMT2ANTSR1POLB
SCHEMBL2233756 0.75 MAPT (0.62) ABCG2MEN1KMT2APOLBL3MBTL1
SCHEMBL28797852 0.75 NPSR1 (0.65) ABCG2MEN1KMT2ANTSR1POLB
SCHEMBL13945469 0.75 MEN1 (1.00) ABCG2MEN1KMT2ANTSR1POLB
SCHEMBL1084181 0.74 KMT2A (0.72) ABCG2MEN1KMT2APOLBCYP1A2
SCHEMBL13585538 0.74 KMT2A (0.56) ABCG2MEN1KMT2APOLBCYP1A2
SCHEMBL4891835 0.74 ABCG2 (0.69) ABCG2MEN1KMT2APOLBL3MBTL1
SCHEMBL12176115 0.73 MEN1 (1.00) ABCG2MEN1KMT2ANTSR1POLB
SCHEMBL22201363 0.73 POLB (0.71) ABCG2MEN1KMT2ANTSR1POLB

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
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed