SCHEMBL14223516

SCHEMBL14223516

COC(=O)c1sc(I)cc1NC(=O)c1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CYP11B2 P19099 1/20 0.44
▸ KCNMA1 Q12791 2/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4729550 0.76 NPC1 (0.38) NPSR1KDM4EMAPTKMT2ANPC1
SCHEMBL1350185 0.74 ABL1 (0.64) KDM4EMAPTKMT2ACYP11B2SMN1; SMN2
SCHEMBL10265083 0.73 ALDH1A1 (0.58) KDM4EMAPTLMNARAF1MAPK14
SCHEMBL10264701 0.73 RAF1 (0.65) NPSR1KDM4ERAF1MAPK14RXFP1
SCHEMBL14223408 0.72 KMT2A (0.68) NPSR1KDM4EMAPTKMT2ALMNA
SCHEMBL24131808 0.71 HPGD (0.42) NPSR1KDM4EMAPTLMNARAF1
SCHEMBL4147003 0.71 HPGD (0.42) KDM4EMAPTLMNARAF1MAPK14
SCHEMBL2158389 0.71 KDM4E (0.73) NPSR1KDM4EMAPTKMT2ALMNA
SCHEMBL13715768 0.71 KDM4E (0.74) NPSR1KDM4EMAPTKMT2ALMNA
SCHEMBL20894133 0.71 MAPT (0.42) KDM4EMAPTKMT2ALMNAMAPK14

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-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 — — WO disclosed
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