SCHEMBL6346019

SCHEMBL6346019

Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.76
▸ MEN1 O00255 7/20 0.76
▸ MAPT P10636 4/20 0.62
▸ ESR1 P03372 2/20 0.62
▸ ALDH1A1 P00352 10/20 0.61
▸ LMNA P02545 6/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.59
▸ USP2 O75604 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ POLB P06746 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL6273841 0.89 KMT2A (0.69) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6273823 0.87 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6281550 0.86 KMT2A (0.86) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6274351 0.84 MEN1 (0.80) KMT2AMEN1MAPTESR1ALDH1A1
SCHEMBL6276794 0.83 ALDH1A1 (0.71) KMT2AMEN1MAPTESR1ALDH1A1
SCHEMBL6280252 0.82 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6279510 0.82 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6280499 0.81 ALDH1A1 (0.76) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6280466 0.81 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6279502 0.80 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1LMNA

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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