SCHEMBL9850688

SCHEMBL9850688

O=C(O)CCCCN1CCc2ccsc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
FFAR1 O14842 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL10201451 0.68 DRD2 (0.36) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL15690262 0.66 KDM4E (0.73) KDM4EALDH1A1MEN1KMT2APOLB
Adipic Acid SCHEMBL166309 0.65 DRD2 (0.60) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL2944990 0.65 TSHR (0.49) MEN1KMT2APTGS1PTGS2TSHR
SCHEMBL9151143 0.64 TSHR (0.47) MEN1KMT2APTGS1PTGS2TSHR
SCHEMBL19513862 0.64 TSHR (0.47) MEN1KMT2APTGS1PTGS2TSHR
SCHEMBL19513822 0.64 TSHR (0.47) MEN1KMT2APTGS1PTGS2TSHR
SCHEMBL7416853 0.64 TSHR (0.47) MEN1KMT2APTGS1PTGS2TSHR
SCHEMBL13593314 0.64 KDM4E (0.78) KDM4EHPGDALDH1A1HTR1ADRD2
SCHEMBL3383921 0.64 KDM4E (0.78) KDM4EHPGDALDH1A1HTR1ADRD2

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
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed