SCHEMBL3564833

SCHEMBL3564833

Cc1cc(-c2ccc(C(C)(C)C)cc2)c2nsnc2c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MITF O75030 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
SCHEMBL14508116 0.91 MAPT (0.31) KIF11RAB9ANPC1TP53SMN1; SMN2
SCHEMBL14495809 0.91 CNR2 (0.32) KIF11RAB9ANPC1TP53SMN1; SMN2
SCHEMBL12348747 0.87 AKR1C3 (0.33) ALDH1A1
SCHEMBL14493024 0.86 CNR2 (0.33) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL1108699 0.84 LMNA (0.39) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL28765461 0.84 NPC1 (0.41) KIF11RAB9ANPC1TP53SMN1; SMN2
SCHEMBL18040333 0.80 KIF11 (0.45) KIF11RAB9ANPC1TP53SMN1; SMN2
SCHEMBL14300642 0.79 LMNA (0.36) RAB9ANPC1TP53SMN1; SMN2LMNA
SCHEMBL13846358 0.77 — —
SCHEMBL24760552 0.74 SLC6A2 (0.38) KIF11RAB9ANPC1TP53SMN1; SMN2

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
EP-1829129-B1 LIGHT EMISSIVE DEVICE CDT OXFORD LTD (GB) 2012-04-25 — — EP disclosed
WO-2010013002-A1 ORGANIC LIGHT-EMITTING MATERIALS AND DEVICES CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2010-02-04 — — WO disclosed
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