SCHEMBL22201279

SCHEMBL22201279

Fc1cccc(Nc2cc(-c3ccncc3)nc3ccccc23)c1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.85
ALDH1A1 P00352 2/20 0.65
POLB P06746 2/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
ACP1 P24666 7/20 0.59
ABCB1 P08183 4/20 0.58
ABCC1 P33527 2/20 0.58
TGFBR1 P36897 1/20 0.55
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RAD52 P43351 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL12090776 0.83 ACP1 (0.76) ABCG2ALDH1A1POLBGSK3AGSK3B
SCHEMBL22201282 0.80 HPGD (0.64) ABCG2ALDH1A1POLBLMNAHPGD
SCHEMBL6001853 0.79 ACP1 (0.64) ABCG2ACP1ABCB1
SCHEMBL1083761 0.79 HPGD (1.00) ABCG2ALDH1A1POLBLMNAHPGD
SCHEMBL12090674 0.77 TGFBR1 (0.61) ABCG2ALDH1A1LMNAHPGDACP1
SCHEMBL22201369 0.77 LMNA (0.63) ABCG2ALDH1A1POLBLMNAHPGD
SCHEMBL22201269 0.76 ACP1 (0.55) ABCG2ALDH1A1POLBACP1ABCB1
SCHEMBL12090610 0.76 ACP1 (0.60) ABCG2ACP1ABCB1ABCC1TGFBR1
SCHEMBL22201261 0.75 ACP1 (0.54) ABCG2ALDH1A1POLBGSK3AGSK3B
SCHEMBL12090581 0.75 ACP1 (0.67) ABCG2ACP1ABCB1ABCC1TGFBR1

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