SCHEMBL9373352

SCHEMBL9373352

NC(=O)N(O)CCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALOX5 P09917 8/20 0.48
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
GLRA1 P23415 1/20 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
SCHEMBL9443972 0.85 NPC1 (0.50) KDM4EALOX5MEN1KMT2ASMN1; SMN2
SCHEMBL9374496 0.82 SLC6A5 (0.48) KDM4EALOX5LMNAMEN1KMT2A
SCHEMBL9374202 0.79 ALOX5 (0.73) ALOX5
SCHEMBL9380104 0.76 ALOX5 (0.58) ALOX5MAPT
SCHEMBL9473677 0.75 ALOX5 (0.66) KDM4EALOX5GLRA1
SCHEMBL9373618 0.74 ALOX5 (0.57) ALOX5MEN1KMT2A
SCHEMBL1457712 0.73 MEN1 (0.63) KDM4ETHRATHRBLMNAMEN1
SCHEMBL3238114 0.73 SMN1; SMN2 (0.48) KDM4ETHRATHRBLMNAMEN1
SCHEMBL9373237 0.72 ALOX5 (0.64) ALOX5
SCHEMBL8405763 0.72 LMNA (0.50) KDM4ETHRATHRBLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed