SCHEMBL6274351

SCHEMBL6274351

COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.80
▸ KMT2A Q03164 5/20 0.80
▸ ALDH1A1 P00352 5/20 0.75
▸ LMNA P02545 2/20 0.75
▸ CYP1A2 P05177 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ USP2 O75604 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ PPARG P37231 1/20 0.60
▸ NCOA2 Q15596 1/20 0.60
▸ NCOA1 Q15788 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.60
▸ MAPT P10636 1/20 0.59
▸ ESR1 P03372 1/20 0.59

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
SCHEMBL6273823 0.89 KMT2A (1.00) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL6279393 0.86 ALDH1A1 (1.00) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL6274723 0.86 ALDH1A1 (0.86) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL1702530 0.85 CYP1A2 (0.92) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL6280699 0.84 ALDH1A1 (0.81) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL6346019 0.84 KMT2A (0.76) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL6279502 0.84 KMT2A (0.73) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL6281762 0.84 MEN1 (0.69) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL1611152 0.83 ALDH1A1 (0.63) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL6281550 0.82 KMT2A (0.86) MEN1KMT2AALDH1A1LMNAUSP2

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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