SCHEMBL18753767

SCHEMBL18753767

Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)ccc1N[SH](=O)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HSD11B1 P28845 1/20 0.47
▸ GPR183 P32249 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ALOX15 P16050 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL19561846 0.89 POLB (0.47) KMT2AMEN1SMN1; SMN2L3MBTL1POLB
SCHEMBL18753804 0.87 KMT2A (0.55) ALDH1A1KMT2AMEN1HSD11B1GPR183
SCHEMBL19562194 0.81 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL18753307 0.79 TSHR (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2L3MBTL1
SCHEMBL18753487 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AHSD11B1KDM4ETSHR
SCHEMBL18753318 0.78 KMT2A (0.59) ALDH1A1KMT2AMEN1HSD11B1TSHR
SCHEMBL18753467 0.78 L3MBTL1 (0.56) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL18753480 0.78 POLB (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL18753740 0.77 LMNA (0.48) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL18753811 0.76 PKM (0.55) ALDH1A1KMT2AMEN1HTTPOLB

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-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 — — EP disclosed
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