SCHEMBL28837009

SCHEMBL28837009

O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
KDM4E B2RXH2 5/20 1.00
HPGD P15428 4/20 1.00
MAPT P10636 4/20 1.00
ALDH1A1 P00352 3/20 1.00
PLA2G2A P14555 4/20 0.65
PLA2G4A P47712 4/20 0.65
CYP2B6 P20813 1/20 0.64
PARP1 P09874 4/20 0.60
TNKS2 Q9H2K2 4/20 0.60
GABRP O00591 4/20 0.60
GABRD O14764 4/20 0.60
GABRA1 P14867 4/20 0.60
GABRB1 P18505 4/20 0.60
GABRG2 P18507 4/20 0.60
GABRB3 P28472 4/20 0.60
GABRA5 P31644 4/20 0.60

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
SCHEMBL30497860 1.00 TNKS (1.00) TNKSSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL13904576 0.82 HPGD (0.70) TNKSSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL926698 0.82 NPC1 (0.70) TNKSSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL13856112 0.80 MAOB (0.69) TNKSSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL8934509 0.78 HPGD (0.64) TNKSSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL23070093 0.77 TNKS (0.93) TNKSSMN1; SMN2NPC1RAB9AKDM4E
Flavone SCHEMBL18879 0.76 TNKS (1.00) TNKSSMN1; SMN2NPC1RAB9AKDM4E
Flavone SCHEMBL31316377 0.76 TNKS (1.00) TNKSSMN1; SMN2NPC1RAB9AKDM4E
Flavone SCHEMBL15676601 0.76 TNKS (1.00) TNKSSMN1; SMN2NPC1RAB9AKDM4E
Flavone SCHEMBL30542161 0.76 TNKS (1.00) TNKSSMN1; SMN2NPC1RAB9AKDM4E

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
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 CN disclosed