SCHEMBL4229197

SCHEMBL4229197

CCCNC(=O)NC(CCCCN1CCOCC1)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.41
HDAC3 O15379 4/20 0.41
BCL3 P20749 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 3/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL4220661 0.99 ALDH1A1 (0.41) HDAC1HDAC3BCL3HDAC8ALDH1A1
SCHEMBL4234525 0.98 HDAC1 (0.41) HDAC1HDAC3BCL3HDAC8ALDH1A1
SCHEMBL4234597 0.91 MAPT (0.43) HDAC1HDAC3BCL3HDAC8ALDH1A1
SCHEMBL4229423 0.90 MAPT (0.42) HDAC1HDAC3BCL3HDAC8ALDH1A1
SCHEMBL1482270 0.90 SMN1; SMN2 (0.36) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL2383602 0.89 MAPT (0.43) HDAC1HDAC3BCL3HDAC8ALDH1A1
SCHEMBL3219036 0.88 CD274 (0.41) BCL3ALDH1A1KDM4EGAAHPGD
SCHEMBL3234115 0.87 CD274 (0.40) BCL3ALDH1A1KDM4EGAAHPGD
SCHEMBL4224516 0.86 HDAC1 (0.39) HDAC1HDAC3BCL3HDAC8POLB
SCHEMBL2385365 0.85 POLB (0.43) HDAC1HDAC3BCL3HDAC8ALDH1A1

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