SCHEMBL11192515

SCHEMBL11192515

CCCCCCc1ccc2sc(-c3ccc(O)c(N)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 6/20 0.45
NFKB1 P19838 4/20 0.45
NFKB2 Q00653 4/20 0.45
RELA Q04206 4/20 0.45
HPGD P15428 2/20 0.45
STAT1 P42224 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL11192289 0.99 RAB9A (0.46) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11186212 0.95 RAB9A (0.46) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11195680 0.91 APP (0.46) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11192099 0.91 NPC1 (0.48) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11195163 0.90 APP (0.47) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11198873 0.86 APP (0.48) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11198471 0.86 HDAC6 (0.52) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL8428720 0.86 NPC1 (0.56) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11200139 0.81 APP (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL10000258 0.78 ATP4A (0.56) RAB9ANPC1NFKB1NFKB2RELA

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-0083204-A2 2-Aminophenol derivatives and process for their preparation ONO PHARMACEUTICAL CO., LTD. (JP) 1983-07-06 EP disclosed