SCHEMBL20101556

SCHEMBL20101556

COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)NC1c1ccc(C(O)O)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KMT2A Q03164 5/20 0.50
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 5/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ELANE P08246 5/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PABPC1 P11940 1/20 0.40
▸ GUSB P08236 1/20 0.40

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
SCHEMBL15793557 0.87 TDP1 (0.59) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793556 0.87 TDP1 (0.59) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793288 0.86 TDP1 (0.56) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793286 0.86 TDP1 (0.56) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793304 0.86 HTT (0.55) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793536 0.86 HTT (0.55) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL19518906 0.83 KMT2A (0.41) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL17826311 0.78 ELANE (0.51) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL17343235 0.78 KMT2A (0.58) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL17311384 0.77 ELANE (0.58) TDP1HTTL3MBTL1KMT2APOLB

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-3154977-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2018-05-02 — — EP disclosed
Send feedback