SCHEMBL9403520

SCHEMBL9403520

CC(C)C(NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ RAB9A P51151 1/20 0.52
▸ ABCC8 Q09428 2/20 0.52
▸ KCNJ11 Q14654 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ GAA P10253 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ABL1 P00519 3/20 0.50
▸ SRC P12931 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ GLS O94925 2/20 0.50
▸ FFAR1 O14842 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ CTSL P07711 1/20 0.49

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
SCHEMBL9403461 0.90 RAB9A (0.54) RAB9AABCC8KCNJ11KDM4EGAA
SCHEMBL9403509 0.85 GLS (0.58) ABCC8KCNJ11KDM4EGAAMEN1
SCHEMBL11189108 0.81 MEN1 (0.53) POLBKDM4EMEN1KMT2ALMNA
SCHEMBL9403454 0.81 MAPK1 (0.59) ABCC8KCNJ11KDM4EGAAMEN1
SCHEMBL11189117 0.81 MEN1 (0.53) POLBKDM4EMEN1KMT2ALMNA
SCHEMBL6968687 0.76 MMP3 (0.56) CTSLCTSS
SCHEMBL6968692 0.76 MMP3 (0.56) CTSLCTSS
SCHEMBL3612969 0.75 SMN1; SMN2 (0.76) RAB9AABCC8KCNJ11KDM4EGAA
SCHEMBL4075762 0.75 CTSS (0.65) MEN1KMT2ALMNACTSLCTSS
SCHEMBL14401772 0.74 CTSD (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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
US-5288735-A Water soluble carbonic anhydrase inhibitor TRAGER SEYMOUR F (US) 1994-02-22 — — US disclosed
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