SCHEMBL21145592

SCHEMBL21145592

CCCCCc1c(C)n[nH]c1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 8/20 0.51
LMNA P02545 7/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
HTT P42858 4/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
TTR P02766 1/20 0.45

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
SCHEMBL11440996 0.98 HSD17B10 (0.54) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL10180518 0.98 HSD17B10 (0.54) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL6912162 0.98 HSD17B10 (0.54) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL11437970 0.98 HSD17B10 (0.54) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL19182209 0.98 HSD17B10 (0.54) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL11438926 0.98 HSD17B10 (0.54) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL12424308 0.93 MAPK1 (0.57) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL13202074 0.86 MAPK1 (0.59) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL8784215 0.81 MAPK1 (0.53) MAPK1KDM4EHSD17B10LMNAMAPT
SCHEMBL2733972 0.79 TLR8 (0.40) MAPK1KDM4EHSD17B10LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745512-B2 Piezo-resistive materials NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (CN) 2020-08-18 US disclosed
US-20190218333-A1 Piezo-resistive Materials NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (CN) 2019-07-18 US disclosed