SCHEMBL16333316

SCHEMBL16333316

O=C(O)c1cc(Sc2cccc(F)c2)n(-c2cccnc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NAPRT Q6XQN6 2/20 0.36
KMO O15229 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SLC6A9 P48067 3/20 0.34
PTGER1 P34995 2/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3701560 0.85 THRB (0.46) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL3697121 0.81 NOTUM (0.34) NOTUM
SCHEMBL3703976 0.81 NOTUM (0.33) SLC6A9NOTUM
SCHEMBL4130894 0.81 SLC6A9 (0.36) KMT2AMEN1MAPTHTTSLC6A9
SCHEMBL4130901 0.81 TP53 (0.34) KMT2AMEN1MAPTSLC6A9NOTUM
SCHEMBL3805131 0.78 SLC6A9 (0.36) MAPTSLC6A9
SCHEMBL3692392 0.77 TP53 (0.45) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL476490 0.77 ELANE (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3707175 0.76 SLC6A9 (0.33) MAPTHTTSLC6A9LMNAL3MBTL1
SCHEMBL3805129 0.74 HTR2C (0.45) MAPTSLC6A9L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed