SCHEMBL10642154

SCHEMBL10642154

COc1ccc(O)c(CNc2nc3ccccc3[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.72
RAB9A P51151 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 2/20 0.60
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
GAA P10253 3/20 0.58
MAPT P10636 3/20 0.58
RECQL P46063 1/20 0.58
LMNA P02545 2/20 0.56
GFER P55789 1/20 0.55
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALPL P05186 2/20 0.49
ALPG P10696 2/20 0.49
PLAA Q9Y263 1/20 0.49
BCHE P06276 1/20 0.49
TRPC3 Q13507 1/20 0.49

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
SCHEMBL31147206 0.81 PKM (0.71) PKMRAB9ASMN1; SMN2TP53MEN1
SCHEMBL28805360 0.80 RAB9A (0.72) PKMRAB9ASMN1; SMN2TP53MEN1
SCHEMBL10893560 0.74 MEN1 (0.72) RAB9ASMN1; SMN2MEN1KMT2AGAA
SCHEMBL10886823 0.74 CA1 (0.72) GAAMAPTLMNAALDH1A1L3MBTL1
SCHEMBL18921815 0.73 GAA (0.66) PKMRAB9ASMN1; SMN2TP53MEN1
SCHEMBL1163865 0.72 KDM4E (0.67) PKMRAB9ASMN1; SMN2TP53MEN1
SCHEMBL28972147 0.72 RAB9A (0.52) PKMRAB9ASMN1; SMN2TP53MEN1
SCHEMBL30218936 0.72 RAB9A (0.52) PKMRAB9ASMN1; SMN2TP53MEN1
SCHEMBL28972145 0.72 RAB9A (0.52) PKMRAB9ASMN1; SMN2TP53MEN1
SCHEMBL18921832 0.72 GAA (0.65) PKMRAB9ASMN1; SMN2TP53MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0122321-B1 HYDROXYBENZYLAMINO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS MERCK & CO. INC. (US) 1988-08-03 EP claimed
US-4578390-A SKIN DISORDERS; TOPICAL MERCK & CO., INC. (US) 1986-03-25 US claimed
EP-0122321-A1 Hydroxybenzylamino derivatives as anti-inflammatory agents MERCK & CO. INC. (US) 1984-10-24 EP claimed
EP-0122321-B1 HYDROXYBENZYLAMINO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS MERCK & CO. INC. (US) 1988-08-03 EP disclosed
US-4578390-A SKIN DISORDERS; TOPICAL MERCK & CO., INC. (US) 1986-03-25 US disclosed
EP-0122321-A1 Hydroxybenzylamino derivatives as anti-inflammatory agents MERCK & CO. INC. (US) 1984-10-24 EP disclosed