SCHEMBL12445705

SCHEMBL12445705

CCOc1cc(CNCC2CC=CS2)cc(Cl)c1OCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Hydrochloric Acid SCHEMBL2326810 0.76 KMT2A (0.60) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL2325585 0.76 CYP1A2 (0.60) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL3471739 0.74 L3MBTL1 (0.56) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL2332209 0.74 L3MBTL1 (0.56) L3MBTL1MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2333412 0.73 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL13310979 0.69 KMT2A (0.63) L3MBTL1MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2333286 0.69 SMN1; SMN2 (0.52) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2333441 0.68 S1PR2 (0.61) L3MBTL1MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2333538 0.68 KMT2A (0.65) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL2335805 0.68 ALDH1A1 (1.00) L3MBTL1MAPTALDH1A1KMT2AMEN1

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-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed