SCHEMBL2333441

SCHEMBL2333441

CCCCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.61
S1PR1 P21453 3/20 0.61
S1PR3 Q99500 3/20 0.61
LPAR2 Q9HBW0 3/20 0.61
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL13310957 0.83 ALDH1A1 (0.55) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL13310979 0.83 KMT2A (0.63) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL2364638 0.82 KMT2A (0.62) KMT2AALDH1A1L3MBTL1LMNAGAA
Hydrochloric Acid SCHEMBL2333538 0.82 KMT2A (0.65) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL2331661 0.82 POLB (0.58) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL13310937 0.81 SMN1; SMN2 (0.70) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL2364687 0.79 KMT2A (0.69) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL12445241 0.79 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL2333728 0.78 CYP1A2 (0.70) KMT2AALDH1A1L3MBTL1LMNAGAA
Hydrochloric Acid SCHEMBL2332778 0.77 KMT2A (0.62) KMT2AALDH1A1L3MBTL1LMNAGAA

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