SCHEMBL19009451

SCHEMBL19009451

CCc1nc2ccccc2c2cc3ccccc3nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
PTBP1 P26599 1/20 0.42
RAB9A P51151 1/20 0.42
RCE1 Q9Y256 1/20 0.42
MAPT P10636 3/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
GPR3 P46089 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL17997843 0.87 POLB (0.48) POLBRAD52SMN1; SMN2KMT2AKDM4E
SCHEMBL17997841 0.81 POLB (0.51) POLBRAD52SMN1; SMN2KMT2AKDM4E
SCHEMBL12533981 0.76 KMT2A (0.64) POLBRAD52SMN1; SMN2KMT2AKDM4E
Propionic Acid SCHEMBL29114529 0.74 KDM4E (0.44) POLBRAD52KMT2AKDM4EALDH1A1
SCHEMBL29470804 0.74 ALDH1A1 (0.54) POLBKMT2AKDM4EALDH1A1HPGD
SCHEMBL730399 0.74 ALDH1A1 (0.54) POLBKMT2AKDM4EALDH1A1HPGD
SCHEMBL7068280 0.73 TDP1 (0.55) SMN1; SMN2KDM4EALDH1A1HPGDGAA
SCHEMBL12014829 0.73 PSMB5 (0.62) KMT2AKDM4EALDH1A1HPGDGAA
SCHEMBL9129527 0.72 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1HPGDGLA
SCHEMBL12000916 0.72 PSMB5 (0.49) POLBRAD52SMN1; SMN2KMT2AKDM4E

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
US-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed