SCHEMBL6279502

SCHEMBL6279502

CC(C)OC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ ALDH1A1 P00352 6/20 0.59
▸ LMNA P02545 3/20 0.59
▸ USP2 O75604 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MAPT P10636 2/20 0.55
▸ ATM Q13315 1/20 0.52

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
SCHEMBL6281762 0.85 MEN1 (0.69) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6273823 0.85 KMT2A (1.00) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6274351 0.84 MEN1 (0.80) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6346019 0.80 KMT2A (0.76) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL29958944 0.79 KMT2A (0.83) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6279635 0.79 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6281550 0.78 KMT2A (0.86) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6279510 0.78 KMT2A (0.73) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6280222 0.77 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL6280699 0.76 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1LMNAUSP2

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-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 — — WO disclosed
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