SCHEMBL22201387

SCHEMBL22201387

c1ccc2c(Nc3ccc4[nH]ccc4c3)nc(-c3cc[nH]c3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.64
KDM1A O60341 1/20 0.63
PRKD1 Q15139 1/20 0.62
ABCG2 Q9UNQ0 16/20 0.50
ABCB1 P08183 5/20 0.50
ABCC1 P33527 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE5A O76074 3/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL1062778 0.90 TGFBR1 (0.71) TGFBR1KDM1APRKD1ABCG2ABCB1
SCHEMBL22201341 0.85 PRKD1 (0.66) TGFBR1KDM1APRKD1ABCG2ABCB1
SCHEMBL22201275 0.85 TGFBR1 (0.64) TGFBR1ABCG2ABCB1ABCC1
SCHEMBL22201553 0.84 KDM1A (0.66) TGFBR1KDM1APRKD1ABCG2MEN1
SCHEMBL13319617 0.80 MEN1 (0.65) TGFBR1KDM1APRKD1MEN1KMT2A
SCHEMBL22201330 0.79 TGFBR1 (0.62) TGFBR1KDM1APRKD1ABCG2MEN1
SCHEMBL13319635 0.78 ABCG2 (0.56) TGFBR1KDM1APRKD1ABCG2MEN1
SCHEMBL13319618 0.78 TGFBR1 (0.64) TGFBR1KDM1APRKD1ABCG2ABCB1
SCHEMBL22201263 0.78 TGFBR1 (0.61) TGFBR1KDM1APRKD1ABCG2ABCB1
SCHEMBL22201678 0.76 HPGD (0.65) TGFBR1ABCG2ABCB1ABCC1MEN1

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