SCHEMBL22201385

SCHEMBL22201385

c1cncc(-c2nc3cc(Nc4nc(-c5ccncc5)cc5ncccc45)ccc3o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
ALDH1A1 P00352 10/20 0.50
HSD17B10 Q99714 7/20 0.50
HPGD P15428 7/20 0.50
POLB P06746 6/20 0.50
NPSR1 Q6W5P4 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 9/20 0.48
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 2/20 0.47
USP2 O75604 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
SCHEMBL22201384 0.93 PRKCH (0.51) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL22201386 0.92 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL30402182 0.80 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL17544089 0.80 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL22201379 0.80 NPC1 (0.50) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL22201452 0.79 PRKCH (0.58) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL22201637 0.76 PRKCH (0.50) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL30402998 0.75 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL17544343 0.75 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL22201642 0.74 PRKCH (0.53) KDM4EALDH1A1HPGDPOLBSMN1; 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