SCHEMBL28399691

SCHEMBL28399691

CC(C)(C)c1cc(-c2ccc(-c3ccccc3)cc2)ccc1-c1nnco1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 15/20 0.51
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL8150825 0.84 NOTUM (0.53) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL7917146 0.81 NOTUM (0.49) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL3858284 0.80 NOTUM (0.70) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL9341647 0.78 NOTUM (0.56) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL4162448 0.77 NOTUM (0.51) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL668815 0.76 MEN1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28491308 0.76 NOTUM (0.68) NOTUMNPC1TP53TSHRRAB9A
Biphenyl SCHEMBL19065169 0.76 NOTUM (0.68) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL1949511 0.75 NOTUM (0.53) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL3283250 0.75 NOTUM (0.66) NOTUMNPC1TP53TSHRRAB9A

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-106486516-B Organic light emitting device 乐金显示有限公司 2020-04-21 — — CN disclosed
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