SCHEMBL3680598

SCHEMBL3680598

O=CCc1ccc(Br)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SLC22A12 Q96S37 7/20 0.38
RXFP1 Q9HBX9 2/20 0.37
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
NPBWR1 P48145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRNP P04156 1/20 0.33
HTR6 P50406 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL1759301 0.88 PARP1 (0.40) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL27963862 0.81 SLC22A12 (0.39) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11893022 0.77 LMNA (0.45) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL15351068 0.77 SLC22A12 (0.40) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL31596398 0.77 LMNA (0.45) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL21801047 0.77 AXL (0.46) MAPTSMN1; SMN2KDM4EHTTSLC22A12
SCHEMBL17451250 0.76 IDO1 (0.52)
SCHEMBL11273711 0.76 SLC2A1 (0.33)
SCHEMBL3649631 0.76 CYP1A2 (0.52) MAPTSMN1; SMN2KDM4ENPBWR1ALDH1A1
SCHEMBL4039132 0.76 DAO (0.43) MAPTSMN1; SMN2KMT2AHTTLMNA

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-2176244-A2 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-04-21 EP disclosed
WO-2009025983-A2 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-26 WO disclosed