SCHEMBL6496437

SCHEMBL6496437

Clc1[c]ccc(SCc2ccco2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.33
PKM P14618 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL6496406 0.70
SCHEMBL9843347 0.68 RXFP1 (0.42) RXFP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6498524 0.67 CA2 (0.33) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6496797 0.67 THRB (0.33) KMT2A
SCHEMBL4613873 0.67 ALDH1A1 (0.39) RXFP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6499187 0.66 THRB (0.38) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL10546461 0.64 HPGD (0.53) RXFP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL891217 0.64 TSHR (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL140950 0.64 TSHR (0.59) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7275956 0.63 TSHR (0.42) ALDH1A1MAPTMEN1KMT2AHPGD

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed