SCHEMBL3841599

SCHEMBL3841599

Cc1ccc(S(=O)(=O)O)c(CCc2cccc([N+](=O)[O-])c2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ACHE P22303 1/20 0.40
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38

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
SCHEMBL284469 0.85 TSHR (0.41) TDP1TSHRSMN1; SMN2ACHECYP3A4
SCHEMBL196533 0.85 ACHE (0.46) TSHRSMN1; SMN2ACHECYP3A4ALDH1A1
SCHEMBL1476156 0.85 TSHR (0.41) TDP1TSHRSMN1; SMN2ACHECYP3A4
SCHEMBL1228376 0.85 ACHE (0.46) TSHRSMN1; SMN2ACHECYP3A4ALDH1A1
SCHEMBL712409 0.84 TSHR (0.42) TDP1TSHRSMN1; SMN2ACHECYP3A4
SCHEMBL1180196 0.79 GAA (0.41) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL30823619 0.79 GAA (0.41) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL10560069 0.79 CYP1A2 (0.50) TSHRACHECYP3A4ALDH1A1CACNB4
SCHEMBL3840820 0.77 TDP1 (0.53) TDP1TSHRSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL1453562 0.76 TSHR (0.43) TSHRSMN1; SMN2ACHECYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 EP claimed
EP-1848691-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE Alembic Limited (IN) 2007-10-31 EP disclosed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO disclosed