SCHEMBL5148764

SCHEMBL5148764

Cc1cc(C(=O)CC#N)c(C)[nH]1.Cc1ccc(C(=O)CC#N)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
DAO P14920 1/20 0.37
ALDH1A1 P00352 5/20 0.35
POLB P06746 3/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1426039 0.85 CYP1A2 (0.43) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL1426700 0.83 DAO (0.52) RAB9ANPC1DAOALDH1A1POLB
SCHEMBL4393837 0.74 DAO (0.37) RAB9ANPC1DAOALDH1A1POLB
SCHEMBL15979700 0.65 DAO (0.61) RAB9ANPC1DAOALDH1A1POLB
SCHEMBL28933254 0.65 HDAC8 (0.37) RAB9ANPC1ALDH1A1POLBHPGD
SCHEMBL1426797 0.65 DAO (0.52) RAB9ANPC1DAOALDH1A1POLB
SCHEMBL1426123 0.65 GSK3B (0.61) RAB9ANPC1DAOALDH1A1POLB
SCHEMBL1426699 0.65 GSK3B (0.61) RAB9ADAOALDH1A1POLBCASP3
SCHEMBL2974396 0.65 MELK (0.37) RAB9ANPC1ALDH1A1POLBHPGD
SCHEMBL2267492 0.65 MAPT (0.36) RAB9ANPC1ALDH1A1POLBHPGD

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-1870135-A2 Brightening and/or dyeing agent with acetamidines Henkel Kommanditgesellschaft auf Aktien (DE) 2007-12-26 EP disclosed