SCHEMBL4439613

SCHEMBL4439613

C#Cc1c(-c2ccccc2)ccc2c1C(c1cccc(N)c1O)(c1cccc(N)c1O)c1cc(-c3ccccc3)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACLY P53396 1/20 0.33
BRD4 O60885 1/20 0.33
NR1I2 O75469 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33

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
SCHEMBL2707921 0.82 MEN1 (0.45) PDK2MEN1KMT2AKDM4EUSP2
SCHEMBL2709287 0.77 PDE4D (0.36) PDK2MEN1KMT2AKDM4EUSP2
SCHEMBL5000741 0.72 MAPT (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4439611 0.68 GRM5 (0.40) PDK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9786709 0.66 ALDH1A1 (0.56) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL19326650 0.66 SMN1; SMN2 (0.47) PDK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL290998 0.66 PDK2 (0.55) PDK2MEN1KMT2AALDH1A1LMNA
SCHEMBL29986604 0.66 PDK2 (0.55) PDK2MEN1KMT2AALDH1A1LMNA
SCHEMBL545091 0.66 PDK2 (0.55) PDK2MEN1KMT2AALDH1A1LMNA
SCHEMBL4321761 0.65 PDK2 (0.59) PDK2MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608928-B2 Laminated body and semiconductor device JSR CORPORATION (JP) 2009-10-27 US disclosed
US-20080044664-A1 Laminated Body and Semiconductor Drive JSR CORPORATION (JP) 2008-02-21 US disclosed
EP-1760774-A1 LAMINATED BODY AND SEMICONDUCTOR DEVICE JSR Corporation (JP) 2007-03-07 EP disclosed