SCHEMBL7470193

SCHEMBL7470193

Cc1ccc2c(c1)C(N(CCCCC(=O)OCCN(C)Cc1ccccc1)S(C)(=O)=O)CC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ATM Q13315 3/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 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
SCHEMBL8481164 0.87 MAPT (0.38) KDM4EMAPK1MAPTALDH1A1KMT2A
SCHEMBL7467207 0.82 AKR1B1 (0.33) ALDH1A1KMT2AMEN1SMN1; SMN2KCNE1
Hydrochloric Acid SCHEMBL8525004 0.78 MEN1 (0.31) KMT2AMEN1
SCHEMBL8481824 0.77 KCNE1 (0.40) KDM4EATMMAPTALDH1A1SMN1; SMN2
SCHEMBL7478336 0.75 MEN1 (0.36) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8481162 0.75 ALDH1A1 (0.35) KDM4EATMMAPK1MAPTALDH1A1
SCHEMBL7471976 0.74 KCNE1 (0.33) KMT2AMEN1KCNE1KCNQ1CYP1A2
SCHEMBL8476685 0.73 KCNE1 (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8481451 0.71 KCNE1 (0.49) KDM4EMAPTALDH1A1KCNE1KCNQ1
SCHEMBL7471057 0.70 KCNE1 (0.46) MAPTALDH1A1KMT2AMEN1KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed