SCHEMBL13044590

SCHEMBL13044590

CCC(C)CNC(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
GLA P06280 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NAMPT P43490 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 2/20 0.39
PDE10A Q9Y233 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 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
SCHEMBL17119844 0.81 KDM4E (0.53) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL13044618 0.79 PLK1 (0.55) KMT2AALDH1A1MEN1HPGDL3MBTL1
SCHEMBL13044613 0.78 NAMPT (0.53) KMT2AMEN1HPGDHSD17B10NAMPT
SCHEMBL5113391 0.76 TSHR (0.58) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL17323611 0.75 TP53 (0.50) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL19349021 0.74 NAMPT (0.58) KMT2AALDH1A1HPGDHSD17B10NAMPT
SCHEMBL799425 0.74 NAMPT (0.58) KMT2AALDH1A1HPGDHSD17B10NAMPT
SCHEMBL24433095 0.74 KDM4E (0.53) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL29023747 0.74 ALDH1A1 (0.53) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL16621864 0.74 MTNR1A (0.45) KMT2AKDM4EALDH1A1MEN1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834067-B2 Pigment composition, ink composition, printed article, inkjet recording method and polyallylamine derivative FUJIFILM CORPORATION (JP) 2010-11-16 US disclosed
US-20090233062-A1 PIGMENT COMPOSITION, INK COMPOSITION, PRINTED ARTICLE, INKJET RECORDING METHOD AND POLYALLYLAMINE DERIVATIVE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed