SCHEMBL4683206

SCHEMBL4683206

CCCCOC(=O)NC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52
MGLL Q99685 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PKM P14618 1/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42

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
SCHEMBL4711953 0.83 MAPT (0.50) MAPTLMNAMEN1ALOX12KMT2A
SCHEMBL1553456 0.83 FOLH1 (0.51) MAPTLMNAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL1461981 0.83 ATM (0.60) LMNASMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL11491274 0.83 ATM (0.60) LMNASMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL9620074 0.83 ESR1 (0.41) MAPTLMNAMEN1ALOX12KMT2A
SCHEMBL4685821 0.82 ATM (0.63) LMNAKMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL8698369 0.82 ALDH1A1 (0.47) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4686341 0.81 SMN1; SMN2 (0.60) LMNASMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL909810 0.81 CA2 (0.51) MAPTLMNAMEN1ALOX12KMT2A
SCHEMBL909808 0.81 CA2 (0.51) MAPTLMNAMEN1ALOX12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed