SCHEMBL13145998

SCHEMBL13145998

CCOC(=O)c1c(Cl)nc(SC)nc1N(CCC(=O)O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CETP P11597 4/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ LMNA P02545 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
SCHEMBL13131434 0.93 PPARG (0.43) PPARGALDH1A1POLBTDP1MAPT
SCHEMBL537640 0.93 PPARG (0.42) PPARGALDH1A1POLBTDP1MAPT
SCHEMBL537779 0.82 PPARG (0.44) PPARGALDH1A1TDP1MAPTTP53
SCHEMBL537450 0.80 MAPT (0.40) PPARGALDH1A1POLBMAPTHPGD
SCHEMBL538288 0.77 THRB (0.43) PPARGALDH1A1POLBTDP1MAPT
SCHEMBL30926036 0.75 MAPT (0.47) PPARGALDH1A1TDP1MAPTHPGD
SCHEMBL3532279 0.74 ALDH1A1 (0.56) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL537832 0.74 MAPT (0.40) PPARGALDH1A1MAPTHPGDTP53
SCHEMBL537829 0.74 MAPT (0.48) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL13145803 0.74 MAPT (0.37) ALDH1A1POLBMAPTHPGDTP53

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
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 — — WO disclosed
Send feedback