SCHEMBL2854792

SCHEMBL2854792

CC(C)N(Cc1ccccc1)C(=O)Oc1cnn(C)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 2/20 0.40
MMP9 P14780 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2852963 0.81 PSEN1 (0.51) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2857852 0.75 LMNA (0.45) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL13434071 0.74 KMT2A (0.70) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL5188030 0.72 KMT2A (0.51) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL2857154 0.69 KMT2A (0.55) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL1701279 0.69 KMT2A (0.76) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL13434088 0.69 POLB (0.75) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7972682 0.68 KMT2A (0.69) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL25852154 0.67 KMT2A (0.59) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7772334 0.66 KMT2A (0.71) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed