SCHEMBL10758276

SCHEMBL10758276

COC(=O)c1ccc2sc(C=O)c(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ERN1 O75460 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SCD O00767 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ KIF11 P52732 1/20 0.39

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
SCHEMBL8441956 0.84 ERN1 (0.49) MEN1KMT2AALDH1A1RAB9AERN1
SCHEMBL2258945 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1RAB9AERN1
SCHEMBL10758156 0.74 CYP2A6 (0.43) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL9450944 0.74 CYP1A2 (0.56) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL2951665 0.73 ERN1 (0.51) MEN1KMT2AALDH1A1ERN1EGFR
SCHEMBL10756969 0.73 L3MBTL1 (0.45) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL31083660 0.72 KDM4E (0.51) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL14615369 0.72 MEN1 (0.47) MEN1KMT2AEGFRTP53SMN1; SMN2
SCHEMBL6298830 0.71 DHFR (0.45) MEN1KMT2AALDH1A1RAB9AEGFR
SCHEMBL12366048 0.71 LMNA (0.42) MEN1KMT2AALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654352-A AMINO SUBSTITUTED PFIZER INC. (US) 1987-03-31 — — US disclosed
EP-0169012-A1 Benzothiophene anti-diarrhoeal agents Pfizer Limited (GB) 1986-01-22 — — EP disclosed
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