SCHEMBL17779594

SCHEMBL17779594

Sc1ccc(-c2ccc(Nc3ccccc3)c(-c3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 3/20 0.41
▸ ALDH1A1 P00352 9/20 0.38
▸ GAA P10253 7/20 0.38
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38

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
SCHEMBL14461554 0.88 ALK (0.50) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL17661359 0.86 ALK (0.49) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL17661314 0.84 ALK (0.40) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL17661457 0.84 ALK (0.47) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL15662804 0.84 ALK (0.46) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL30406285 0.84 ALK (0.46) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL22435802 0.84 ALK (0.46) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL20484337 0.84 ALK (0.46) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL17661491 0.83 SIRT2 (0.50) ALKALDH1A1GAAMAPTKDM4E
SCHEMBL17573728 0.81 SIRT2 (0.49) ALKALDH1A1GAAMAPTKDM4E

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
WO-2016079667-A1 INDOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS IDEMITSU KOSAN CO., LTD. (JP) 2016-05-26 — — WO disclosed
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