SCHEMBL4223072

SCHEMBL4223072

CN1CCN(CCC(NC(=O)NCCc2ccccc2)c2ccc(C(=O)Nc3ccccc3N)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.44
HDAC3 O15379 8/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 2/20 0.41
NCOR1 O75376 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 1/20 0.39
HIF1A Q16665 2/20 0.38
CCR3 P51677 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4229607 0.95 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL1497137 0.92 HDAC3 (0.39) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL1496898 0.88 HDAC3 (0.38) HDAC1HDAC3HDAC2DYRK1ADYRK1B
SCHEMBL4229297 0.87 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3224428 0.87 SIGMAR1 (0.40) HIF1ACCR3KMT2APOLBTSHR
SCHEMBL2383602 0.87 MAPT (0.43) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL4234597 0.86 MAPT (0.43) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL4229423 0.86 MAPT (0.42) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL4224174 0.84 UTS2R (0.49) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL1496924 0.84 SIGMAR1 (0.39) DYRK1ADYRK1BHIF1APOLBTSHR

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-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed