SCHEMBL3398593

SCHEMBL3398593

CN(C)CCCOc1ccc(-c2ccc3c(c2)c2c(Cl)ccnc2n3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.45
HTR6 P50406 4/20 0.43
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
SLC2A1 P11166 1/20 0.40
ATM Q13315 1/20 0.39
KDR P35968 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CXCR1 P25024 1/20 0.39
CACNA1B Q00975 4/20 0.39
CACNA1H O95180 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 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
SCHEMBL3670674 0.92 DRD3 (0.41) HTR6DRD2DRD3SMN1; SMN2
SCHEMBL677032 0.85 HTR6 (0.42) HTR6KDRMAPT
SCHEMBL3398885 0.84 LSS (0.45) LSSHTR6FGFR1SRCSLC2A1
SCHEMBL3662668 0.84 HTR6 (0.42) HTR6SRCHTR1ADRD2HTR7
SCHEMBL3664144 0.84 NPC1 (0.43) HTR6KDRCXCR1HTR1AHTR7
SCHEMBL675896 0.80 SRC (0.40) HTR6SRCMAPTSMN1; SMN2
SCHEMBL3424943 0.78 NPC1 (0.38) HTR6SRCKDRCXCR1HTR1A
SCHEMBL23862909 0.78 METAP2 (0.38) HTR6DRD2HTR7
SCHEMBL3670473 0.77 PTGDR2 (0.42) HTR6SRCSMN1; SMN2
SCHEMBL675362 0.77 DRD3 (0.41) HTR6DRD2DRD3SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed