SCHEMBL13325807

SCHEMBL13325807

CCc1ccc(-c2nc3cc(-c4ccccc4)c(C)cn3c2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 17/20 0.53
▸ AKT1 P31749 16/20 0.53
▸ SLC2A1 P11166 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ S1PR3 Q99500 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
SCHEMBL13325767 0.81 AKT2 (0.61) AKT2AKT1NPC1RAB9A
SCHEMBL13325798 0.80 AKT1 (0.51) AKT2AKT1SLC2A1
SCHEMBL13325796 0.80 SLC2A1 (0.50) AKT2AKT1SLC2A1
SCHEMBL13599903 0.70 AKT2 (0.48) AKT2AKT1
SCHEMBL13325766 0.70 AKT1 (0.69) AKT2AKT1NPC1RAB9A
SCHEMBL361144 0.69 AKT2 (1.00) AKT2AKT1
SCHEMBL1429188 0.68 AKT2 (0.60) AKT2AKT1NPC1RAB9A
SCHEMBL13325774 0.68 ALDH1A3 (0.50) SLC2A1NPC1RAB9A
SCHEMBL13325930 0.68 AKT2 (0.69) AKT2AKT1NPC1RAB9A
SCHEMBL18203558 0.67 AKT1 (0.56) AKT2AKT1NPC1RAB9A

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-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 — — US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 — — US disclosed
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