SCHEMBL4229737

SCHEMBL4229737

CN(C)CCCC(NC(=O)Nc1nc2c(s1)CCCC2)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL4229327 0.88 LMNA (0.39) LMNAMAPTTP53MEN1KMT2A
SCHEMBL2384055 0.82 HDAC3 (0.41) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL4219387 0.81 HDAC3 (0.47) LMNAMAPTHDAC3HDAC1HDAC8
SCHEMBL4229729 0.81 HDAC1 (0.41) LMNAMAPTTP53MEN1KMT2A
SCHEMBL2385434 0.81 NPC1 (0.45) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL4225186 0.81 HDAC3 (0.46) NPC1SMN1; SMN2HDAC3HDAC1HDAC8
SCHEMBL2384921 0.80 HDAC1 (0.51) LMNAMAPTTP53MEN1KMT2A
SCHEMBL4229478 0.80 HDAC3 (0.41) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL2386015 0.80 HDAC3 (0.43) HDAC3HDAC1HDAC8UTS2R
SCHEMBL4227992 0.80 HDAC3 (0.42) MAPTTP53MEN1KMT2ANPC1

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