SCHEMBL21279513

SCHEMBL21279513

Cc1nc2cc(C3CCCCN3C(=O)OC(C)(C)C)nn2c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ AADAT Q8N5Z0 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL2737903 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL21279510 0.90 TSHR (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2737977 0.90 PDE8B (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2737893 0.90 TSHR (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2737976 0.89 PDE8B (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2737986 0.89 ABCB1 (0.41) ALDH1A1TSHR
SCHEMBL2737904 0.88 L3MBTL1 (0.37) ALDH1A1L3MBTL1NPSR1LMNAAADAT
SCHEMBL21279652 0.88 L3MBTL1 (0.37) ALDH1A1L3MBTL1NPSR1LMNAAADAT
SCHEMBL2737988 0.88 ABCB1 (0.41) ALDH1A1TSHR
SCHEMBL2737990 0.88 USP30 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 — — EP disclosed
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