SCHEMBL3262898

SCHEMBL3262898

CCC(N)c1ccccc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL9839451 0.85 ALDH1A1 (0.46) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL474162 0.83 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20549769 0.83 CYP3A4 (0.48) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11503111 0.81 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8526511 0.81 TSHR (0.55) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1380696 0.81 TSHR (0.55) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL21436026 0.81 ALDH1A1 (0.51) KDM4EMAPTALDH1A1HSD17B10TSHR
SCHEMBL8366891 0.80 LMNA (0.52) KDM4EMAPTALDH1A1HSD17B10TSHR
SCHEMBL4976973 0.80 RPS6KB1 (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL28199566 0.80 BCAT2 (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10

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
US-7655396-B1 Methods for detecting receptor modulator activity ALLERGAN, INC. (US) 2010-02-02 US disclosed