SCHEMBL5797416

SCHEMBL5797416

O=C(c1ccc(F)cc1)C(Br)c1ccc(=O)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
AKR1B1 P15121 3/20 0.40
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PTPN1 P18031 1/20 0.34
CA12 O43570 1/20 0.34
ALPL P05186 1/20 0.34
RPA1 P27694 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 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
SCHEMBL4242626 0.81 CES2 (0.43) KMT2AMEN1AKR1B1ALDH1A1HTT
SCHEMBL5796336 0.77 CES2 (0.41) KMT2AMEN1AKR1B1ALDH1A1HTT
SCHEMBL5798526 0.75 AKR1B1 (0.48) KMT2AMEN1AKR1B1ALDH1A1CES2
SCHEMBL3169587 0.71 AKR1B1 (0.46) KMT2AMEN1AKR1B1ALDH1A1HTT
SCHEMBL2534850 0.70 CES2 (0.48) ALDH1A1HTTCES2CES1PTPN1
SCHEMBL8905938 0.70 MEN1 (0.38) KMT2AMEN1AKR1B1ALDH1A1HTT
SCHEMBL3364624 0.67 GSK3B (0.61) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL4470958 0.67 LTA4H (0.55) KMT2AMEN1L3MBTL1CES2CES1
SCHEMBL4245618 0.67 RAB9A (0.51) KMT2AMEN1AKR1B1ALDH1A1CES2
SCHEMBL30410204 0.67 KMT2A (0.38) KMT2AALDH1A1CES2CES1PTPN1

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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed