SCHEMBL22754182

SCHEMBL22754182

CSOCc1ccc(N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
TSHR P16473 4/20 0.52
MAPK1 P28482 3/20 0.52
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
APP P05067 5/20 0.49
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.46
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
CALM1 P0DP23 2/20 0.42
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL22754183 0.76 AGXT (0.54) ALDH1A1TDP1HPGDNPC1SMN1; SMN2
SCHEMBL7968199 0.76 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL12509337 0.74 APP (0.56) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL18459027 0.74 IDO1 (0.52) ALDH1A1TDP1APPHPGDKDM4E
SCHEMBL7968195 0.74 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL21937947 0.74 IDO1 (0.52) ALDH1A1APPCA1CA2CA7
SCHEMBL22754181 0.74 SLC6A4 (0.47) CYP3A4NPC1MAPT
SCHEMBL24696625 0.73 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL18459091 0.73 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1GAA
SCHEMBL18459071 0.72 IDO1 (0.57) ALDH1A1TSHRCYP3A4APPALOX15

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
EP-3507292-B1 USE OF SILYLATED FORMIATES AS HYDROSILANE EQUIVALENTS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-12-09 EP disclosed