SCHEMBL13620529

SCHEMBL13620529

Cc1c(C(=O)O)sc2nc(CC3CC=CS3)[nH]c(=S)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 2/20 0.45
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 5/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 2/20 0.39
THRB P10828 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL13620440 0.88 ALDH1A1 (0.52) KMT2AMAPTALDH1A1TDP1MEN1
SCHEMBL14218882 0.80 MAPT (0.46) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL13620316 0.80 KMT2A (0.44) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL3492879 0.78 RXFP1 (0.61) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL3492256 0.74 KMT2A (0.51) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL14650905 0.74 KMT2A (0.53) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL3491627 0.73 KMT2A (0.48) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL3491528 0.73 KMT2A (0.54) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL3493794 0.72 KMT2A (0.59) KMT2ARXFP1LMNAKCNH2NPSR1
SCHEMBL3491630 0.72 KMT2A (0.49) KMT2ARXFP1LMNAKCNH2NPSR1

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-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed