SCHEMBL8925358

SCHEMBL8925358

N#CC(CSP(=O)(O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
EEF2K O00418 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL8923587 0.76 GGPS1 (0.43) GGPS1CA1CA14HTT
SCHEMBL1095213 0.76 ALDH1A1 (0.45) MAPTALDH1A1GAALMNAPOLB
SCHEMBL10994456 0.72 ALDH1A1 (0.45) MAPTALDH1A1GAALMNAPOLB
SCHEMBL9394012 0.72 ALDH1A1 (0.38) GGPS1MAPTALDH1A1GAALMNA
SCHEMBL11857458 0.70 LMNA (0.49) MAPTALDH1A1GAALMNAPOLB
SCHEMBL11862705 0.70 ESR1 (0.48) MAPTALDH1A1GAALMNAPOLB
SCHEMBL11861718 0.70 ALDH1A1 (0.43) GGPS1MAPTALDH1A1GAALMNA
SCHEMBL9863585 0.70 LMNA (0.44) MAPTALDH1A1GAALMNAPOLB
SCHEMBL1097210 0.69 USP2 (0.44) ALDH1A1GAALMNAPOLBEEF2K
SCHEMBL8922306 0.69 CTSC (0.41) LMNAHTT

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
US-5644048-A Process for preparing phosphorothioate oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
US-5210264-A S-(2,4-dichlorobenzyl)-β-cyanoethyl phosphorothioate diester ISIS PHARMACEUTICALS, INC. (US) 1993-05-11 US disclosed