SCHEMBL529036

SCHEMBL529036

Cc1ccc(N(c2ccccc2Cl)S(C)(=O)=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
PER2 O15055 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL528892 0.82 MAPT (0.41) NPSR1MAPTSMN1; SMN2POLBESR1
SCHEMBL12505329 0.80 MAPT (0.44) NPSR1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL528821 0.79 L3MBTL1 (0.44) NPSR1MAPTSMN1; SMN2POLBESR1
SCHEMBL528635 0.79 ALDH1A1 (0.43) NPSR1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL529539 0.76 MAPT (0.44) NPSR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL5928299 0.74 KDM4E (0.47) SMN1; SMN2POLBRAB9ALMNAMEN1
SCHEMBL21101926 0.69 LMNA (0.42) NPSR1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL528260 0.69 ALDH1A1 (0.39) NPSR1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL529554 0.69 ALDH1A1 (0.46) NPSR1MAPTSMN1; SMN2POLBLMNA
SCHEMBL28295005 0.68 SMN1; SMN2 (0.35) SMN1; SMN2POLBRAB9AESR1LMNA

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed