SCHEMBL22650662

SCHEMBL22650662

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4sc5[nH]c6cc7c(ccc8ccccc87)cc6c5c4c4ccc5ccccc5c43)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
CYP1B1 Q16678 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A1 P04798 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22650663 0.83 CYP1B1 (0.35) PDPK1CYP1B1ALDH1A1HIF1AHSD17B10
SCHEMBL22650711 0.82 CHEK1 (0.30) CYP1B1CYP1A1
SCHEMBL22650898 0.74 KIF11 (0.38) ALDH1A1HSD17B10LMNAMAPT
SCHEMBL22650642 0.73 L3MBTL1 (0.36) ALDH1A1NPC1LMNAMAPTRECQL
SCHEMBL22652250 0.71 MAPT (0.38) CYP1B1ALDH1A1HIF1AHSD17B10CYP1A1
SCHEMBL22650728 0.71 CDK4 (0.33) ALDH1A1HIF1AHSD17B10LMNARAB9A
SCHEMBL25899051 0.70 MAPT (0.44) CYP1B1ALDH1A1HSD17B10CYP1A1NPC1
SCHEMBL13086798 0.70 MAPT (0.37) PDPK1CYP1B1ALDH1A1HIF1AHSD17B10
SCHEMBL21432065 0.70 CDK4 (0.35) ALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL12691497 0.69 NPC1 (0.39) CYP1B1ALDH1A1HSD17B10CYP1A1NPC1

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-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed