SCHEMBL22201667

SCHEMBL22201667

Cc1cccc(Nc2nc(-c3ccncc3C)nc3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.67
MAPT P10636 3/20 0.67
ABCB1 P08183 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LATS1 O95835 1/20 0.64
ALDH1A1 P00352 5/20 0.62
LMNA P02545 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 3/20 0.54
HPGD P15428 2/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
TP53 P04637 1/20 0.53
KDM4E B2RXH2 3/20 0.53

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
SCHEMBL22201666 0.87 ALDH1A1 (0.60) ABCG2MAPTABCB1SMN1; SMN2LATS1
SCHEMBL22201579 0.83 ABCG2 (0.85) ABCG2MAPTABCB1SMN1; SMN2LATS1
SCHEMBL22201606 0.81 TGFBR1 (0.66) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL26177129 0.78 LATS1 (1.00) ABCG2MAPTABCB1SMN1; SMN2LATS1
SCHEMBL8094111 0.77 MAPT (0.67) ABCG2MAPTABCB1SMN1; SMN2ALDH1A1
SCHEMBL414358 0.77 CYP1A2 (1.00) ABCG2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16404300 0.76 ABCG2 (0.65) ABCG2MAPTABCB1SMN1; SMN2ALDH1A1
SCHEMBL16404488 0.76 ABCG2 (0.65) ABCG2MAPTABCB1SMN1; SMN2LMNA
SCHEMBL8236002 0.76 KMT2A (0.67) ABCG2MAPTABCB1SMN1; SMN2ALDH1A1
SCHEMBL8096433 0.75 ABCG2 (0.83) ABCG2MAPTABCB1SMN1; SMN2LATS1

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