SCHEMBL22201647

SCHEMBL22201647

CCN1CCCC1CNc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HIF1A Q16665 1/20 0.54
PDE5A O76074 6/20 0.53
PTGS1 P23219 1/20 0.53
TBXAS1 P24557 1/20 0.53
PTGS2 P35354 1/20 0.53
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
GBA1 P04062 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
ACHE P22303 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL22639730 0.82 ACHE (0.51) HPGDALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3460111 0.78 GBA1 (0.77) HPGDALDH1A1PDE5APTGS1TBXAS1
SCHEMBL3971152 0.77 KDM4E (0.45) HPGDALDH1A1MAPTPDE5AKDM4E
SCHEMBL3976155 0.77 KDM4E (0.52) HPGDALDH1A1MAPTKDM4EMAPK1
SCHEMBL3327772 0.76 PRKCD (0.54) HPGDALDH1A1KDM4EACHELMNA
SCHEMBL10134675 0.74 DRD2 (0.47) HPGDALDH1A1KDM4ETSHRACHE
SCHEMBL3974946 0.74 DRD2 (0.49) ALDH1A1MAPTKDM4E
SCHEMBL3460750 0.73 ACP1 (0.74) ALDH1A1MAPTPDE5APTGS1TBXAS1
SCHEMBL1088557 0.72 MRGPRX1 (0.51) HPGDALDH1A1MAPTKDM4EMAPK1
SCHEMBL22639883 0.72 LMNA (0.60) HPGDALDH1A1MAPTKDM4ESMN1; SMN2

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