SCHEMBL28512208

SCHEMBL28512208

Cc1cccc(C2=C[CH]c3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
ACHE P22303 2/20 0.38
PDK2 Q15119 1/20 0.37
ENPP3 O14638 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
CHEK1 O14757 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL28025423 0.85 BRD9 (0.34) RAB9ANPC1MAPTTSHRACHE
SCHEMBL28302278 0.84 BRD9 (0.33) MAPTTSHRACHETP53LMNA
SCHEMBL28515419 0.81 NPC1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL28025937 0.79 PTAFR (0.40) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL28517482 0.79 HTR7 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL28025419 0.79 TAAR1 (0.39) SMN1; SMN2NFKB1NFKB2RELAMAPT
SCHEMBL5076754 0.78 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10NISCH
SCHEMBL28025943 0.78 KIF11 (0.44) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL28025547 0.78 DYRK1A (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL28025990 0.78 BCL2 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 CN disclosed