SCHEMBL9670873

SCHEMBL9670873

CN(c1cccnc1)C(=S)[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 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
SCHEMBL9671018 0.84 CYP3A4 (0.39) CNR1ALDH1A1PKMHTTNAMPT
SCHEMBL9672528 0.76 NOTUM (0.36) ALDH1A1HTTL3MBTL1MAPK1LMNA
SCHEMBL9670875 0.75 CNR1 (0.36) CNR1HTTMAPK1LMNASMN1; SMN2
SCHEMBL9672246 0.73 ALDH1A1 (0.38) CNR1ALDH1A1PKMHTTL3MBTL1
SCHEMBL9672110 0.71 LMNA (0.37) ALDH1A1HTTLMNASMN1; SMN2TSHR
SCHEMBL9670596 0.70 CYP3A4 (0.37) ALDH1A1PKMHTTLMNASMN1; SMN2
SCHEMBL9671051 0.69 ALDH1A1 (0.47) ALDH1A1PKMHTTLMNASMN1; SMN2
SCHEMBL9209319 0.68 LMNA (0.35) CNR1ALDH1A1PKMHTTMAPK1
SCHEMBL9216640 0.68 LMNA (0.35) CNR1ALDH1A1PKMHTTMAPK1
SCHEMBL9670534 0.65 NPY5R (0.35) ALDH1A1HTTLMNASMN1; SMN2TSHR

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-0510028-A1 THIOFORMAMIDE DERIVATIVES. RHONE POULENC RORER SA (FR) 1992-10-28 EP disclosed