SCHEMBL3701900

SCHEMBL3701900

CC(C)(C)C(Cc1cc(Sc2cccnc2)n(-c2ccccc2Cl)n1)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.37
SLC16A1 P53985 9/20 0.37
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 2/20 0.32
IDH1 O75874 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
GPR132 Q9UNW8 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
SCHEMBL3702435 0.92 RIPK1 (0.36) SLC16A3SLC16A1GPR132
SCHEMBL3690715 0.90 FPR1 (0.33) MAPTKMT2AALDH1A1CNR1
SCHEMBL3697750 0.88 TSHR (0.32) MEN1KMT2ALMNA
SCHEMBL3029599 0.88 SLC16A3 (0.37) SLC16A3SLC16A1MAPTMEN1KMT2A
SCHEMBL3692822 0.86 SLC16A3 (0.35) SLC16A3SLC16A1MAPTMEN1KMT2A
SCHEMBL3706679 0.84 FPR1 (0.33)
SCHEMBL3698138 0.83 SLC16A3 (0.38) SLC16A3SLC16A1MAPTMEN1KMT2A
SCHEMBL3700573 0.83 SLC16A3 (0.39) SLC16A3SLC16A1ALDH1A1CNR1
SCHEMBL3700852 0.82 FPR1 (0.36)
SCHEMBL4201749 0.82 SLC16A3 (0.36) SLC16A3SLC16A1MEN1KMT2ACNR1

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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed