SCHEMBL27855804

SCHEMBL27855804

O=S(=O)(O)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
MCL1 Q07820 8/20 0.51
HSD11B1 P28845 3/20 0.50
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
PDE2A O00408 1/20 0.42

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
SCHEMBL27855832 0.85 MRGPRX4 (0.47) ALDH1A1L3MBTL1MEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL28078954 0.84 MRGPRX4 (0.46) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL29683114 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL67766 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL16555634 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL2725140 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL5077887 0.81 HSD11B1 (0.51) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL18762145 0.80 HSD11B1 (0.44) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL3190051 0.79 CES2 (0.52) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL3204890 0.79 PDE2A (0.43) ALDH1A1L3MBTL1MEN1TSHRKMT2A

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
CN-102482197-A Process for producing diquaternary ammonium salt and novel intermediate WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed