SCHEMBL20032083

SCHEMBL20032083

CCCc1ccnc(CC(CC)NCc2cccc(Cc3ccccn3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALOX15 P16050 2/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APP P05067 3/20 0.33
PGK1 P00558 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
SREBF2 Q12772 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL19214814 0.87 HRH3 (0.39) KDM4EHRH3ALOX15LMNATAAR1
SCHEMBL20661470 0.87 HRH3 (0.33) KDM4EHRH3ALOX15LMNATAAR1
SCHEMBL20661523 0.77 GSK3A (0.38) TRPV3CYP1A2
SCHEMBL19214785 0.77 TRPV3 (0.40) KDM4EHRH3LMNAALDH1A1TRPV3
SCHEMBL20032069 0.76 TRPV3 (0.36) TRPV3SREBF2MAPTCYP1A2CYP2D6
SCHEMBL20032160 0.75 ALOX15 (0.42) KDM4EHRH3ALOX15LMNAALDH1A1
SCHEMBL19214809 0.73 PTPRA (0.44) KDM4EALOX15LMNAALDH1A1MAPT
SCHEMBL20661464 0.73 LMNA (0.35) KDM4ELMNATRPV3SREBF2TSHR
SCHEMBL20032163 0.73 KDM4E (0.35) KDM4ELMNASREBF2TSHR
SCHEMBL19214860 0.72 FABP1 (0.49) KDM4EAPPMAPTCYP1A2CYP2D6

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