SCHEMBL9211109

SCHEMBL9211109

CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1C(C)NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGS2 P35354 1/20 0.37
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 3/20 0.35
RORC P51449 5/20 0.34
NAMPT P43490 2/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL9219652 0.92 ALDH1A1 (0.38) MEN1KMT2APTGS2ALDH1A1SMN1; SMN2
SCHEMBL9211998 0.92 ALDH1A1 (0.38) MEN1KMT2APTGS2ALDH1A1SMN1; SMN2
SCHEMBL9219765 0.91 ALDH1A1 (0.39) MEN1KMT2APTGS2L3MBTL1ALDH1A1
SCHEMBL9217629 0.91 SLC1A3 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL9209313 0.91 NAMPT (0.33) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL9219311 0.91 EPHX2 (0.38) MEN1KMT2APTGS2EPHX2L3MBTL1
SCHEMBL9215115 0.90 KEAP1 (0.39) MEN1KMT2AALDH1A1TSHRNAMPT
SCHEMBL9218839 0.89 KMT2A (0.36) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL9216670 0.88 P2RX7 (0.33) MEN1KMT2APTGS2ALDH1A1SMN1; SMN2
SCHEMBL9210074 0.87 PKM (0.32) KMT2AALDH1A1NAMPT

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-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP claimed