SCHEMBL7606359

SCHEMBL7606359

CCO/N=C/c1ccc(CCOc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CACNA1B Q00975 2/20 0.45
FABP1 P07148 1/20 0.45
MCL1 Q07820 1/20 0.45
BCL2A1 Q16548 1/20 0.45
HTR6 P50406 5/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CACNA1H O95180 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL7421803 1.00 F2 (0.48) F2ALDH1A1LMNAPKMHPGD
Hydrochloric Acid SCHEMBL5866335 0.99 F2 (0.48) F2ALDH1A1LMNAPKMHPGD
Hydrochloric Acid SCHEMBL5866338 0.99 F2 (0.48) F2ALDH1A1LMNAPKMHPGD
SCHEMBL7423880 0.89 F2 (0.56) F2ALDH1A1LMNAMCL1BCL2A1
SCHEMBL7423878 0.89 F2 (0.56) F2ALDH1A1LMNAMCL1BCL2A1
Hydrochloric Acid SCHEMBL5866146 0.88 F2 (0.55) F2ALDH1A1LMNAMCL1BCL2A1
Hydrochloric Acid SCHEMBL5866145 0.88 F2 (0.55) F2ALDH1A1LMNAMCL1BCL2A1
SCHEMBL7428089 0.87 PGR (0.40) F2ALDH1A1LMNAPKMHPGD
SCHEMBL7428082 0.87 PGR (0.40) F2ALDH1A1LMNAPKMHPGD
SCHEMBL5866241 0.87 F2 (0.53) F2CACNA1BFABP1MCL1BCL2A1

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-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP disclosed