SCHEMBL20032029

SCHEMBL20032029

CCCc1ccnc(CC(CC)NCCOCCO)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
SLC6A4 P31645 1/20 0.35
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL20661464 0.88 LMNA (0.35) SIGMAR1SLC6A4LMNACYP3A4SMN1; SMN2
SCHEMBL20032030 0.85 SLC6A4 (0.49) SIGMAR1SLC6A4LMNACYP3A4ALDH1A1
SCHEMBL20032163 0.80 KDM4E (0.35) SIGMAR1SLC6A4LMNACYP3A4KDM4E
SCHEMBL20032161 0.78 SIGMAR1 (0.34) SIGMAR1SLC6A4LMNACYP3A4KDM4E
SCHEMBL20032170 0.75 KDM4E (0.39) LMNACYP3A4KDM4ETSHR
SCHEMBL19214790 0.75 KDM4E (0.39) SLC6A4LMNACYP3A4KDM4ETSHR
SCHEMBL20661551 0.75 KDM4E (0.45) SIGMAR1SLC6A4LMNACYP3A4KDM4E
SCHEMBL19214772 0.74 SIGMAR1 (0.34) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL20032168 0.71 LNPEP (0.37) LMNACYP3A4SMN1; SMN2KDM4ETSHR
SCHEMBL20032172 0.70 SREBF2 (0.34) LMNACYP3A4MEN1KMT2AALDH1A1

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed