SCHEMBL7678997

SCHEMBL7678997

Cc1ccc(S(=O)(=O)NNC2=CC(=O)CC(c3cc(Cl)ccc3Cl)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
GAA P10253 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 4/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C19 P33261 3/20 0.39
ALOX12 P18054 2/20 0.39
PKM P14618 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL7682946 0.94 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL7689683 0.91 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL7682909 0.87 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL7689236 0.82 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL7683121 0.80 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL7682903 0.74 FLT1 (0.39) ALDH1A1GAAPOLBLMNATDP1
SCHEMBL7689688 0.74 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL7689686 0.71 ALDH1A1 (0.66) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL8127193 0.69 FLT1 (0.40) ALDH1A1GAAPOLBLMNAMAPT
SCHEMBL8114015 0.67 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2POLBLMNA

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-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed