SCHEMBL11871992

SCHEMBL11871992

CC(C)n1c(=S)nc(-c2cccc([N+](=O)[O-])c2)c2cc3c(cc21)OCO3

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ PGR P06401 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CFTR P13569 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL11784648 0.89 MAPT (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL11407603 0.83 ADORA3 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11870798 0.83 MAPT (0.39) SMN1; SMN2MAPTPGRMEN1KMT2A
SCHEMBL11880135 0.77 CTSL (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11872924 0.77 CASR (0.48) —
SCHEMBL11410850 0.72 NR1I2 (0.48) MAPTPGRPDE4D
SCHEMBL3522604 0.72 NR1I2 (0.62) PDE4D
SCHEMBL11789237 0.71 CASR (0.61) RAB9AMAPTNPC1PDE4D
SCHEMBL11817686 0.70 NR1I2 (0.41) ALDH1A1MAPTMEN1KMT2ACFTR
SCHEMBL3521741 0.70 CASR (0.50) PDE4D

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
US-3997564-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1976-12-14 — — US disclosed
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