SCHEMBL22201525

SCHEMBL22201525

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
ABCG2 Q9UNQ0 8/20 0.46
MAPT P10636 1/20 0.46
IGFBP3 P17936 1/20 0.46
KDM4E B2RXH2 3/20 0.45
PDE5A O76074 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA2A P29274 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3579261 0.79 ADORA2A (0.59) LMNAABCG2MAPTPDE5AADORA2A
SCHEMBL22201524 0.73 LMNA (0.58) LMNAHPGDALDH1A1POLBGSK3A
SCHEMBL1083761 0.72 HPGD (1.00) LMNAHPGDALDH1A1POLBGSK3A
SCHEMBL23882733 0.71 CYP11B1 (0.46) IGFBP3SMN1; SMN2
SCHEMBL18280131 0.71 CYP11B1 (0.46) IGFBP3SMN1; SMN2
SCHEMBL22201405 0.71 LMNA (0.58) LMNAHPGDALDH1A1POLBGSK3A
SCHEMBL22201623 0.70 ABCG2 (0.86) LMNAHPGDALDH1A1POLBGSK3A
SCHEMBL22201684 0.70 HPGD (0.65) LMNAHPGDALDH1A1POLBGSK3A
SCHEMBL6304985 0.69 ROCK1 (0.43) GSK3AGSK3BIGFBP3ADORA2AMAPK1
SCHEMBL1062734 0.69 TGFBR1 (0.50) LMNAHPGDALDH1A1POLBABCG2

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