SCHEMBL7452146

SCHEMBL7452146

CNC(C)C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKT1 P31749 3/20 0.45
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
ATM Q13315 1/20 0.40
PTGES O14684 1/20 0.39
KLK5 Q9Y337 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
SCHEMBL25852154 0.83 KMT2A (0.59) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL7320870 0.82 MEN1 (0.50) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4526992 0.81 L3MBTL1 (0.50) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL31667777 0.81 L3MBTL1 (0.50) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL13731616 0.80 L3MBTL1 (0.57) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL19502098 0.80 MEN1 (0.49) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL28273136 0.80 L3MBTL1 (0.57) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL30873949 0.80 L3MBTL1 (0.57) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL25934543 0.80 L3MBTL1 (0.49) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL21946445 0.77 PSEN1 (0.46) MEN1KMT2AAKT1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077976-B1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2002-08-07 EP disclosed
US-6384030-B1 COMPOUNDS AS FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-07 US disclosed
EP-1077976-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-28 EP disclosed
WO-1999058530-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-18 WO disclosed