SCHEMBL11340973

SCHEMBL11340973

CCCCCC[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
DNM1 Q05193 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HTT P42858 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KCNH2 Q12809 1/20 0.34
NAAA Q02083 1/20 0.34
USP2 O75604 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
SCHEMBL11310581 1.00 MGLL (0.36) MGLLDNM1GPR84LMNAMEN1
SCHEMBL11312789 1.00 MGLL (0.36) MGLLDNM1GPR84LMNAMEN1
SCHEMBL11309699 1.00 MGLL (0.36) MGLLDNM1GPR84LMNAMEN1
SCHEMBL11346850 0.98 GPR84 (0.37) MGLLDNM1GPR84LMNAMEN1
SCHEMBL3200927 0.92 DNM1 (0.40) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL3213176 0.92 DNM1 (0.40) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL10680057 0.90 LTA4H (0.38) DNM1GPR84MEN1KMT2ASMN1; SMN2
SCHEMBL11299176 0.86 MGLL (0.32) MGLLDNM1GPR84TP53TSHR
Perchlorate SCHEMBL11310446 0.85 CES2 (0.39) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL11346122 0.84 TP53 (0.32) MEN1KMT2ATP53

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-4251521-A HYPOGLYCEMIC AGENTS SANDOZ, INC. (US) 1981-02-17 US disclosed