SCHEMBL22201676

SCHEMBL22201676

Cn1ncc2cc(Nc3nc(-c4ccncc4)nc4ccccc34)ccc21

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.68
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 3/20 0.61
RXFP1 Q9HBX9 1/20 0.61
HPGD P15428 3/20 0.61
POLB P06746 2/20 0.61
PDE5A O76074 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 1/20 0.61
ABCG2 Q9UNQ0 11/20 0.61
ABCB1 P08183 3/20 0.61
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ABCC1 P33527 1/20 0.58
MAPK14 Q16539 1/20 0.58

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
SCHEMBL11916990 0.93 TGFBR1 (0.74) TGFBR1PDE5ASMN1; SMN2LMNAMAPT
SCHEMBL22201671 0.92 ALDH1A1 (0.61) TGFBR1ALDH1A1KDM4ERXFP1HPGD
SCHEMBL13319624 0.85 TGFBR1 (0.72) TGFBR1SMN1; SMN2LMNAMAPTABCG2
SCHEMBL882807 0.85 TGFBR1 (0.68) TGFBR1KDM4ESMN1; SMN2MAPTABCG2
SCHEMBL22201673 0.84 KDM1A (0.67) TGFBR1ALDH1A1KDM4ERXFP1HPGD
SCHEMBL14962717 0.83 ABCG2 (0.70) TGFBR1KDM4EHPGDPDE5ASMN1; SMN2
SCHEMBL16882618 0.82 TGFBR1 (0.59) TGFBR1POLBSMN1; SMN2LMNAMAPT
SCHEMBL22201675 0.81 ALDH1A1 (0.61) TGFBR1ALDH1A1KDM4ERXFP1HPGD
SCHEMBL22201447 0.80 HPGD (0.70) TGFBR1ALDH1A1KDM4ERXFP1HPGD
SCHEMBL22201342 0.80 HPGD (0.70) TGFBR1ALDH1A1KDM4ERXFP1HPGD

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