SCHEMBL9056099

SCHEMBL9056099

C=CCc1cccc2[nH]c(S)nc(=O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9398319 0.74 MAPT (0.36) MAPTLMNAHTTNPC1POLB
SCHEMBL1801055 0.73 GAA (0.42) MAPTLMNAHTTNPC1POLB
SCHEMBL8097979 0.68 GABRA1 (0.51) MAPTLMNAHTTNPC1POLB
SCHEMBL5831194 0.66 GABRA1 (0.52) MAPTLMNAMAPK1GABRA1GABRB2
SCHEMBL429173 0.65 NPC1 (0.45) MAPTLMNAHTTNPC1POLB
SCHEMBL2163311 0.65 MAPT (0.40) MAPTLMNAHTTNPC1POLB
SCHEMBL5010980 0.64 GABRA1 (0.54) MAPTLMNAPOLBMAPK1GABRA1
SCHEMBL3253183 0.64 ALDH1A1 (0.48) MAPTLMNAHTTKDM4EGAA
SCHEMBL10835909 0.64 DAO (0.38) MAPTGABRA1GABRB2TDP1KDM4E
SCHEMBL3660175 0.64 GABRA1 (0.46) MAPTLMNAHTTNPC1POLB

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-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 — — EP disclosed
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