SCHEMBL3894607

SCHEMBL3894607

COC(=O)C(=Cc1ccc(C#N)cc1OCCNC(=O)c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.40
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CCR3 P51677 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
CYP3A4 P08684 1/20 0.37
CDK1 P06493 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL3894603 1.00 RORC (0.40) RORCHDAC1KDM4EPKMCCR3
SCHEMBL3899270 0.90 GPR119 (0.48) HDAC1CCNCCDK8GPR119CHEK2
SCHEMBL3899273 0.90 GPR119 (0.48) HDAC1CCNCCDK8GPR119CHEK2
SCHEMBL3900221 0.81 F10 (0.44) CDK1
SCHEMBL3900223 0.81 F10 (0.44) CDK1
SCHEMBL3903206 0.80 CDK1 (0.39) CDK8CDK1MAPTSMN1; SMN2
SCHEMBL3903208 0.80 CDK1 (0.39) CDK8CDK1MAPTSMN1; SMN2
SCHEMBL3905431 0.79 CA12 (0.39) RORCKDM4ECCNCCDK8CDK1
SCHEMBL3905429 0.79 CA12 (0.39) RORCKDM4ECCNCCDK8CDK1
SCHEMBL3900481 0.79 MGLL (0.55) HDAC1KDM4EPKMCCR3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed