SCHEMBL4002967

SCHEMBL4002967

CCCCOC(=O)N(C(=O)N1CCNCC1)c1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CNR2 P34972 1/20 0.35
TACR1 P25103 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL4002973 0.83 HRH2 (0.37) TSHRTDP1L3MBTL1ALDH1A1HRH2
SCHEMBL3760642 0.80 MAPK1 (0.39) SIGMAR1POLBMAPK1CHRM2CHRM4
SCHEMBL3762318 0.75 SIGMAR1 (0.43) ALDH1A1SIGMAR1KMT2APOLBGAA
SCHEMBL27627013 0.74 TSHR (0.45) TSHRTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3895345 0.70 SIGMAR1 (0.41) ALDH1A1SIGMAR1SMN1; SMN2KMT2APOLB
SCHEMBL17017 0.70 POLB (0.63) TSHRTDP1ALDH1A1HRH2HRH1
SCHEMBL5820669 0.70 POLB (0.63) TSHRTDP1ALDH1A1HRH2HRH1
SCHEMBL18760256 0.70 POLB (0.63) TSHRTDP1ALDH1A1HRH2HRH1
Hydrochloric Acid SCHEMBL1111003 0.68 POLB (0.61) TSHRTDP1ALDH1A1HRH2HRH1
SCHEMBL4082478 0.68 POLB (0.61) TSHRTDP1ALDH1A1HRH2HRH1

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-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed