SCHEMBL13922820

SCHEMBL13922820

CCCC(=O)Nc1cc(C)ccn1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.63
TP53 P04637 1/20 0.63
TSHR P16473 1/20 0.63
POLB P06746 2/20 0.61
MAPK10 P53779 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.56
MAPK8 P45983 1/20 0.56
GSK3A P49840 1/20 0.56
HIPK1 Q86Z02 1/20 0.56
RIOK2 Q9BVS4 1/20 0.56
SNRK Q9NRH2 1/20 0.56
PKM P14618 1/20 0.55

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
SCHEMBL9093258 0.91 RAB9A (0.69) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13922829 0.89 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL17817587 0.88 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13922914 0.87 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL8240613 0.87 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL8434070 0.86 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL25131701 0.86 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL25131761 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL9664553 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL22540274 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed