SCHEMBL6922628

SCHEMBL6922628

O=Cc1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ERN1 O75460 1/20 0.46
SLC29A1 Q99808 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.43
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.42

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
SCHEMBL6536280 0.86 ALDH1A1 (0.57) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL9831511 0.84 ALDH1A1 (0.52) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6922508 0.80 PDE7A (0.55) CYP1A2CYP2C9CYP2C19ERN1TDP1
SCHEMBL11824913 0.78 KMT2A (0.54) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL3067225 0.77 ERN1 (0.53) CYP1A2MAPTALDH1A1HTTTP53
SCHEMBL9934029 0.76 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL6925412 0.76 PDE7A (0.52) LMNAERN1TDP1IDO1
SCHEMBL8394925 0.75 ERN1 (0.44) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL16306939 0.75 ERN1 (0.57) ALDH1A1LMNAERN1GAA
SCHEMBL16458919 0.75 ERN1 (0.47) CYP1A2CYP2C9CYP2C19MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO disclosed