SCHEMBL6680802

SCHEMBL6680802

Cc1cc(NS(=O)(=O)c2ccc(OCC(C)(C)C)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.60
ADRA1A P35348 1/20 0.60
CYP2C9 P11712 1/20 0.60
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
TP53 P04637 1/20 0.59
GAA P10253 1/20 0.58
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 2/20 0.57
USP2 O75604 2/20 0.57
HSD17B10 Q99714 1/20 0.57
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53

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
SCHEMBL6666893 0.84 NPC1 (0.74) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6666219 0.82 MAPT (0.60) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6669899 0.80 MAPT (0.56) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6670051 0.80 KMT2A (0.59) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL15831621 0.80 ALDH1A1 (0.62) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6667070 0.80 ALDH1A1 (0.63) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6668899 0.79 HTT (0.60) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6680042 0.79 MAPT (0.55) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6666442 0.79 ALDH1A1 (0.69) MAPTALDH1A1ADRA1ACYP2C9KMT2A
SCHEMBL6669450 0.79 ALDH1A1 (0.61) MAPTALDH1A1ADRA1ACYP2C9KMT2A

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
WO-2004021997-A2 INHIBITORS OF FUNGAL INVASION MICROBIA, INC. (US) 2004-03-18 WO disclosed