SCHEMBL22201616

SCHEMBL22201616

COc1ccc2c(Nc3cc(F)c4[nH]ccc4c3)nc(-c3ccncc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ABCC1 P33527 1/20 0.53
LATS1 O95835 1/20 0.53
ABCB1 P08183 3/20 0.52
LMNA P02545 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AURKA O14965 1/20 0.46

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
SCHEMBL22201627 0.84 HPGD (0.67) ABCG2MEN1KMT2AABCC1ABCB1
SCHEMBL22201347 0.83 ABCG2 (0.58) ABCG2MEN1KMT2AABCC1LATS1
SCHEMBL22201625 0.78 LMNA (0.47) ABCG2LATS1ABCB1LMNAHPGD
SCHEMBL22201466 0.77 LMNA (0.49) ABCG2LATS1ABCB1LMNAHPGD
SCHEMBL22201408 0.77 ABCG2 (0.53) ABCG2LMNAHPGDMAPTALDH1A1
SCHEMBL22201350 0.76 ABCG2 (0.58) ABCG2MEN1KMT2AABCC1LATS1
SCHEMBL22201356 0.73 HPGD (0.55) ABCG2LATS1ABCB1LMNAHPGD
SCHEMBL22201476 0.73 PRKCH (0.52) LMNAHPGDMAPTALDH1A1POLB
SCHEMBL14474039 0.72 ABCG2 (0.66) ABCG2MEN1KMT2ALATS1ABCB1
SCHEMBL22201338 0.72 ABCG2 (0.76) ABCG2MEN1KMT2AABCC1ABCB1

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