SCHEMBL18157977

SCHEMBL18157977

Cn1ccc(Cn2ccc(CNCC(=O)O)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 11/20 0.38
GRIN2B Q13224 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HDAC1 Q13547 2/20 0.36
NAMPT P43490 1/20 0.35
HPGDS O60760 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL20024588 0.90 EPHX2 (0.55) EPHX2DDB1CRBNNAMPTHPGDS
SCHEMBL13731947 0.71 EPHX2 (0.50) EPHX2DDB1CRBNNAMPTHPGDS
SCHEMBL2259759 0.69 EPHX2 (0.58) EPHX2KCNH2GRIN2BDDB1CRBN
SCHEMBL15932464 0.68 NPSR1 (0.53) EPHX2DDB1CRBNNAMPTHPGDS
Hydrochloric Acid SCHEMBL23581663 0.68 EPHX2 (0.41) EPHX2DDB1CRBNNAMPTKDM4E
SCHEMBL31055717 0.67 EPHX2 (0.74) EPHX2
SCHEMBL21246185 0.67 NAMPT (0.46) EPHX2DDB1CRBNNAMPTHPGDS
SCHEMBL18924762 0.66 EPHX2 (0.51) EPHX2KCNH2GRIN2BDDB1CRBN
SCHEMBL24613090 0.66 EPHX2 (0.64) EPHX2KCNH2GRIN2BDDB1CRBN
SCHEMBL12964154 0.66 NAMPT (0.45) EPHX2NAMPTHPGDSKDM4EALDH1A1

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-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 US disclosed