SCHEMBL8328588

SCHEMBL8328588

[CH2]CC(C)(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.45
PKM P14618 1/20 0.38
CYP19A1 P11511 1/20 0.36
SCN5A Q14524 3/20 0.35
SCN9A Q15858 3/20 0.35
VNN1 O95497 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL4249887 0.82 TAAR1 (0.46) TSHRTAAR1ALDH1A1ALOX15
SCHEMBL8327484 0.80 KIF11 (0.40) KIF11CYP19A1CNR1CNR2TSHR
SCHEMBL8324574 0.80 KIF11 (0.46) KIF11CNR1CNR2TSHRTAAR1
SCHEMBL8324979 0.79 TSHR (0.45) KIF11SIGMAR1TSHRTAAR1ALDH1A1
SCHEMBL8322592 0.79 TSHR (0.46) KIF11CYP19A1TSHRTAAR1
SCHEMBL8324065 0.76 KIF11 (0.50) KIF11PKMCYP19A1SCN5ASCN9A
SCHEMBL8326388 0.76 KIF11 (0.50) KIF11SCN5ATAAR1ALDH1A1ALOX15
SCHEMBL8325767 0.73 KIF11 (0.46) KIF11TSHRTAAR1ALDH1A1
SCHEMBL3096971 0.72 CYP19A1 (0.42) KIF11CYP19A1SCN5ASCN9ATSHR
SCHEMBL78619 0.72 HDAC4 (0.47) KIF11CYP19A1SCN5ASCN9ATSHR

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
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed