SCHEMBL3707729

SCHEMBL3707729

CNC(=O)OCc1cc(Sc2ccccn2)n(-c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 11/20 0.46
SLC16A1 P53985 10/20 0.46
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PDE4B Q07343 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3698799 0.83 SLC16A3 (0.40) SLC16A3SLC16A1NPC1RAB9ASMN1; SMN2
SCHEMBL3709000 0.81 SLC16A3 (0.37) SLC16A3SLC16A1NPC1RAB9ASMN1; SMN2
SCHEMBL3701193 0.80 RIPK1 (0.44) SLC16A3SLC16A1MEN1KMT2ARIPK1
SCHEMBL4130908 0.78 SLC16A3 (0.46) SLC16A3SLC16A1MEN1KMT2ARIPK1
SCHEMBL4130915 0.78 SLC16A3 (0.41) SLC16A3SLC16A1MEN1KMT2ARIPK1
SCHEMBL3696581 0.78 SLC16A3 (0.38) SLC16A3SLC16A1MEN1KMT2ARIPK1
SCHEMBL3696583 0.76 HTR2C (0.51) SLC16A3SLC16A1
SCHEMBL3707175 0.73 SLC6A9 (0.33) MAPTLMNA
SCHEMBL2839606 0.69 SLC6A4 (0.38) SLC16A3SLC16A1KMT2ARIPK1MAPT
SCHEMBL4125828 0.69 P2RX7 (0.39) SLC16A3SLC16A1KMT2ARIPK1NPC1

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