SCHEMBL4936634

SCHEMBL4936634

O=S(=O)(O)CCCN(CCCS(=O)(=O)O)c1ccc(C(c2ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc2)c2ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc2[Na])cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL244232 0.84 CNR2 (0.35) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL3452805 0.83 CNR2 (0.35) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL25081942 0.73 MAPK1 (0.41) KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL25082006 0.73 MAPK1 (0.41) KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL13086215 0.70 CNR2 (0.41) KMT2ACNR2MEN1MAPT
SCHEMBL4443205 0.70 CYP2D6 (0.44) KMT2ALMNATP53CNR2MEN1
SCHEMBL9347243 0.70 LTA4H (0.38) KMT2ALMNASMN1; SMN2NPSR1CNR2
SCHEMBL16815207 0.68 GAA (0.36) KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL353210 0.68 CNR2 (0.44) KMT2ALMNACNR2MEN1MAPT
SCHEMBL15702727 0.67 ALDH1A1 (0.50) MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268017-B2 Method for stabilizing leuco-type colorant ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-18 US claimed
US-20080295259-A1 METHOD FOR STABILIZING LEUCO-TYPE COLORANT ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-04 US claimed
US-8268017-B2 Method for stabilizing leuco-type colorant ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-18 US disclosed
US-20080295259-A1 METHOD FOR STABILIZING LEUCO-TYPE COLORANT ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-04 US disclosed