SCHEMBL22201446

SCHEMBL22201446

c1ccc2c(Nc3ccc4c(c3)OCO4)nc(-c3ccncc3)nc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
LMNA P02545 4/20 0.80
HPGD P15428 4/20 0.80
MEN1 O00255 4/20 0.80
KMT2A Q03164 4/20 0.80
KDM4E B2RXH2 4/20 0.80
CYP1A2 P05177 3/20 0.80
CYP3A4 P08684 3/20 0.80
CYP2D6 P10635 3/20 0.80
MAPK1 P28482 3/20 0.80
CYP2C19 P33261 3/20 0.80
HSD17B10 Q99714 3/20 0.80
TP53 P04637 2/20 0.80
MAPT P10636 2/20 0.80
CYP2C9 P11712 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
USP2 O75604 2/20 0.71
ALOX15 P16050 2/20 0.71
TSHR P16473 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71

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
SCHEMBL6001170 0.90 LMNA (0.77) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL22201433 0.89 ALDH1A1 (0.63) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL12316850 0.88 MEN1 (0.73) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL9937633 0.86 ABCG2 (0.74) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL2293460 0.84 MEN1 (0.69) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL22201270 0.84 MEN1 (0.61) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL6001380 0.82 PDE5A (0.67) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL22201343 0.82 HPGD (0.65) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL22201610 0.82 HPGD (0.59) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL2294663 0.81 KDM1A (0.66) ALDH1A1LMNAHPGDMEN1KMT2A

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