SCHEMBL4019441

SCHEMBL4019441

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)cc1.[Na].[Na]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
CNR2 P34972 14/20 0.40
CNR1 P21554 5/20 0.39
GRK6 P43250 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HSD11B1 P28845 1/20 0.36

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
SCHEMBL863081 1.00 ALDH1A1 (0.41) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL21176648 0.99 ALDH1A1 (0.40) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL4020690 0.99 ALDH1A1 (0.40) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL111712 0.90 ALDH1A1 (0.41) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL25506725 0.87 ALDH1A1 (0.41) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL10595694 0.84 CNR2 (0.43) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL2107754 0.82 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL30487077 0.82 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL4019433 0.82 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL31244568 0.82 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2AL3MBTL1

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-7534911-B2 Process for the preparation of Isosulphan Blue INNOVASSYNTH TECHNOLOGIES (INDIA) LTD. (IN) 2009-05-19 US claimed
US-20060224003-A1 A PROCESS FOR THE PREPARATION OF ISOSULPHAN BLUE RISING PHARMA HOLDINGS, INC. 2006-10-05 US claimed
US-7534911-B2 Process for the preparation of Isosulphan Blue INNOVASSYNTH TECHNOLOGIES (INDIA) LTD. (IN) 2009-05-19 US disclosed
US-20060224003-A1 A PROCESS FOR THE PREPARATION OF ISOSULPHAN BLUE RISING PHARMA HOLDINGS, INC. 2006-10-05 US disclosed