SCHEMBL3636479

SCHEMBL3636479

COc1cc(Nc2nc(C(C)Cc3cc(F)c(F)c(F)c3)cs2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGES O14684 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
CYP3A4 P08684 2/20 0.34
CSNK2A1 P68400 1/20 0.33
PLA2G7 Q13093 1/20 0.32
METAP2 P50579 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
GNRHR P30968 1/20 0.32

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
SCHEMBL3637441 0.86 PLA2G7 (0.39) IMPDH2ALOX5PTGESCYP1A1CYP1A2
SCHEMBL3638760 0.79 PSEN1 (0.48) IMPDH2ALOX5PTGESCYP1A1CYP1A2
SCHEMBL3640999 0.77 CYP1B1 (0.53) IMPDH2ALOX5PTGESCYP1A1CYP1A2
SCHEMBL3406434 0.75 CDK9 (0.39) CCNT1CDK9KCNH2
Hydrochloric Acid SCHEMBL3635538 0.74 PLA2G7 (0.37) IMPDH2ALOX5PSEN1PSEN2APH1B
SCHEMBL3636568 0.74 PLA2G7 (0.34) IMPDH2ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL3634963 0.74 MAPT (0.40) PLA2G7MEN1MAPTKMT2ATAAR1
SCHEMBL2331462 0.74 CSNK2A1 (0.50) IMPDH2ALOX5CSNK2A1MEN1MAPT
SCHEMBL2322931 0.74 PSEN1 (0.45) IMPDH2ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL3637805 0.74 VCP (0.59) IMPDH2ALOX5PTGESCYP1A1CYP1A2

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-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed