SCHEMBL22201623

SCHEMBL22201623

CN(c1cccc(F)c1)c1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.86
PDE5A O76074 2/20 0.65
LMNA P02545 5/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 4/20 0.57
POLB P06746 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
MAPT P10636 5/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GBA1 P04062 2/20 0.52
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
TSHR P16473 3/20 0.51
GLA P06280 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
SCHEMBL4843696 0.83 PDE5A (0.83) ABCG2PDE5ALMNAALDH1A1HPGD
SCHEMBL22201451 0.80 ABCG2 (0.56) ABCG2PDE5AGBA1
SCHEMBL1085418 0.80 PDE5A (1.00) ABCG2PDE5ALMNAALDH1A1HPGD
SCHEMBL27721053 0.78 PDE5A (0.68) ABCG2PDE5ALMNAALDH1A1HPGD
SCHEMBL27721055 0.77 PDE5A (0.76) ABCG2PDE5ALMNAALDH1A1HPGD
SCHEMBL15452624 0.75 ABCG2 (0.65) ABCG2PDE5ALMNAALDH1A1MAPT
SCHEMBL1083856 0.73 CYP2D6 (0.74) ABCG2PDE5ALMNAALDH1A1HPGD
SCHEMBL1083761 0.72 HPGD (1.00) ABCG2PDE5ALMNAALDH1A1HPGD
SCHEMBL6000218 0.72 ABCG2 (0.46) ABCG2CYP3A4KMT2ATP53
SCHEMBL22201524 0.72 LMNA (0.58) ABCG2PDE5ALMNAALDH1A1HPGD

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