SCHEMBL8325683

SCHEMBL8325683

[CH2]C(NC)C(c1ccccc1)c1cccc(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA1A P35348 1/20 0.38
RGS12 O14924 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
GNAI1 P63096 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8324360 0.82 HDAC4 (0.40) CYP3A4ALOX15ALOX12ALDH1A1HDAC4
SCHEMBL8329176 0.81 MEN1 (0.38) CYP3A4ALOX15ALOX12CHRM2ADRA1A
SCHEMBL8328722 0.81 IDO1 (0.42) HDAC4KDM4E
SCHEMBL27506328 0.81 ACP3 (0.41) CYP3A4ALOX15CYP2D6TSHRCYP2C19
SCHEMBL8324964 0.76 KDM4E (0.38) CYP3A4ALOX15ALOX12CYP2C9TSHR
SCHEMBL8324974 0.75 KMT2A (0.40) CYP3A4ALOX15ALOX12CHRM2ADRA1A
Benzene SCHEMBL7084450 0.74 HDAC4 (0.54) CYP3A4ALOX15ALOX12TSHRALDH1A1
SCHEMBL8327275 0.73 SLC6A4 (0.51) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL8323402 0.72 PBRM1 (0.50) CYP3A4PKMKMT2AMEN1ALDH1A1
SCHEMBL28077966 0.72 SLC6A2 (0.47) CYP3A4ADRA1ACYP2D6TSHRADRA2C

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-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