SCHEMBL5591865

SCHEMBL5591865

[c]1cc[c]c(-c2nc3ccccc3s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.46
▸ NPC1 O15118 10/20 0.46
▸ KDM4E B2RXH2 10/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 7/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ APP P05067 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL713163 0.81 RAB9A (0.50) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5757471 0.75 RAB9A (0.65) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8717233 0.75 RAB9A (0.56) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL827403 0.74 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11036469 0.73 RAB9A (0.51) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5323730 0.73 RAB9A (0.47) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL713164 0.73 RAB9A (0.66) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Methane SCHEMBL28056221 0.72 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.72 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.72 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 — — WO disclosed
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