SCHEMBL11036469

SCHEMBL11036469

[c]1sccc1-c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.51
▸ NPC1 O15118 10/20 0.51
▸ KDM4E B2RXH2 9/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 6/20 0.47
▸ GAA P10253 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GLA P06280 2/20 0.47
▸ APP P05067 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46

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 0.77 RAB9A (0.50) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
SCHEMBL827403 0.77 RAB9A (0.67) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
Hydrogen Sulfide SCHEMBL16859912 0.75 RAB9A (0.64) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
Methane SCHEMBL28056221 0.75 RAB9A (0.64) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
Hydrogen Sulfide SCHEMBL28205214 0.75 RAB9A (0.64) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
SCHEMBL15987517 0.75 RAB9A (0.47) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
SCHEMBL5591865 0.73 RAB9A (0.46) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
SCHEMBL15987443 0.73 RAB9A (0.46) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
Thiophene SCHEMBL27961647 0.72 RAB9A (0.59) RAB9ANPC1KDM4EL3MBTL1ALDH1A1
SCHEMBL713164 0.71 RAB9A (0.66) RAB9ANPC1KDM4EL3MBTL1ALDH1A1

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-0143123-A2 Industrial products useful as intermediates in the preparation of 4-hydroxy-3 quinoleine carboxamide derivatives substituted at position 2, and the preparation of these intermediates ROUSSEL-UCLAF (FR) 1985-06-05 — — EP claimed
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