SCHEMBL20032030

SCHEMBL20032030

CCCc1ccnc(CC(CC)NCCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
SIGMAR1 Q99720 10/20 0.41
LOXL2 Q9Y4K0 3/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LOX P28300 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL20032029 0.85 SIGMAR1 (0.36) SLC6A4SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20032163 0.84 KDM4E (0.35) SLC6A4SIGMAR1KDM4ELMNACYP3A4
SCHEMBL20661464 0.84 LMNA (0.35) SLC6A4SIGMAR1KDM4ESMN1; SMN2LMNA
SCHEMBL20032161 0.82 SIGMAR1 (0.34) SLC6A4SIGMAR1KDM4ELMNACYP3A4
SCHEMBL20661500 0.82 SLC6A4 (0.52) SLC6A4SIGMAR1ALDH1A1
SCHEMBL19214772 0.78 SIGMAR1 (0.34) SIGMAR1ALDH1A1
SCHEMBL20032170 0.76 KDM4E (0.39) KDM4ELMNACYP3A4TSHR
SCHEMBL20661551 0.76 KDM4E (0.45) SLC6A4SIGMAR1KDM4ELMNACYP3A4
SCHEMBL19214790 0.76 KDM4E (0.39) SLC6A4KDM4ELMNACYP3A4TSHR
SCHEMBL20032168 0.72 LNPEP (0.37) KDM4ESMN1; SMN2LMNACYP3A4TSHR

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