SCHEMBL3668236

SCHEMBL3668236

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(-c4ccccc4)cc3)cc2c2ccc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
SRC P12931 2/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ACLY P53396 2/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
CXCL8 P10145 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL675472 0.93 SRC (0.43) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL675245 0.90 HTR6 (0.45) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL676610 0.88 ALDH1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL675183 0.86 HTR6 (0.47) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL3669859 0.86 ALDH1A1 (0.39) SRCCXCL8NOD1
SCHEMBL675280 0.85 HTR6 (0.44) HTR6SRCACLYPPARGPPARD
SCHEMBL676293 0.84 NPC1 (0.45) HTR6
SCHEMBL3398885 0.83 LSS (0.45) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL678710 0.82 TP53 (0.40) HTR6SRCPPARGPPARDPPARA
SCHEMBL676193 0.82 SRC (0.39) HTR6SRCCA12CA2CA9

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US 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