SCHEMBL31067657

SCHEMBL31067657

CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2N)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CA2 P00918 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN5 P54829 1/20 0.33
CDK5 Q00535 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
LIMK1 P53667 1/20 0.33
ACVR1 Q04771 1/20 0.33
TNK2 Q07912 1/20 0.33

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
SCHEMBL31124666 0.90 ALDH1A1 (0.36) ALDH1A1HSD17B10MAPTCDK5CLK4
SCHEMBL27470487 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B10CA2MAPTTSHR
SCHEMBL31067737 0.88 IKBKB (0.36) ALDH1A1HSD17B10CA2PTPN5MAP4K4
SCHEMBL27759190 0.86 CA2 (0.39) ALDH1A1HSD17B10CA2TSHRTDP1
SCHEMBL1194487 0.86 CA2 (0.41) ALDH1A1HSD17B10CA2TSHRTDP1
SCHEMBL27480276 0.86 CA2 (0.41) ALDH1A1HSD17B10CA2TSHRTDP1
SCHEMBL545685 0.84 CA2 (0.40) ALDH1A1HSD17B10CA2TSHRTDP1
SCHEMBL22171422 0.84 ALDH1A1 (0.45) ALDH1A1HSD17B10CA2MAPTTSHR
Iodide SCHEMBL29162131 0.84 CA2 (0.40) ALDH1A1HSD17B10CA2TSHRTDP1
Phosphine SCHEMBL2238719 0.84 CA2 (0.40) ALDH1A1HSD17B10CA2TSHRTDP1

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
CN-118530270-A Light-emitting element and condensed polycyclic compound for light-emitting element 三星显示有限公司 2024-08-23 CN disclosed