SCHEMBL20032161

SCHEMBL20032161

CCCc1ccnc(CC(CC)NCCN(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
DNM2 P50570 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2C19 P33261 1/20 0.32
SLC6A4 P31645 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
KDM5C P41229 3/20 0.31
KDM5B Q9UGL1 3/20 0.31
KDM5A P29375 2/20 0.31
FERMT2 Q96AC1 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL19214772 0.93 SIGMAR1 (0.34) SIGMAR1HRH3CYP2C19KDM5CKDM5B
SCHEMBL20032163 0.84 KDM4E (0.35) SIGMAR1SLC6A4KDM4ELMNACYP3A4
SCHEMBL20661464 0.84 LMNA (0.35) SIGMAR1SLC6A4KDM4ELMNACYP3A4
SCHEMBL20032030 0.82 SLC6A4 (0.49) SIGMAR1SLC6A4KDM4ELMNACYP3A4
SCHEMBL20032029 0.78 SIGMAR1 (0.36) SIGMAR1SLC6A4KDM4ELMNACYP3A4
SCHEMBL20032170 0.76 KDM4E (0.39) KDM4ELMNACYP3A4TSHR
SCHEMBL20661551 0.76 KDM4E (0.45) SIGMAR1SLC6A4KDM4ELMNACYP3A4
SCHEMBL19214790 0.76 KDM4E (0.39) SLC6A4KDM4ELMNACYP3A4TSHR
SCHEMBL20032168 0.72 LNPEP (0.37) KDM4ELMNACYP3A4TSHR
SCHEMBL20032082 0.72 CYP2C19 (0.40) HRH3CYP2C19SLC6A4KDM4ELMNA

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