SCHEMBL6928823

SCHEMBL6928823

Cc1ccc(Sc2ccc(C=O)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP2A6 P11509 1/20 0.47
PDE7A Q13946 3/20 0.45
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 3/20 0.41
ICAM1 P05362 2/20 0.41
SELE P16581 1/20 0.41
ITGAL P20701 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ITGB2 P05107 1/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH3A1 P30838 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6928587 0.81 CYP2A6 (0.47) ALDH1A1CYP2A6MAPTNPSR1MEN1
SCHEMBL6928719 0.77 MCL1 (0.46) ALDH1A1CYP2A6MAPTNPSR1MEN1
SCHEMBL6927314 0.77 CYP2A6 (0.43) ALDH1A1CYP2A6PDE7AMAPTNPSR1
SCHEMBL6735568 0.77 CYP2A6 (0.73) ALDH1A1CYP2A6MAPTNPSR1MEN1
SCHEMBL5661855 0.76 MAPT (0.72) ALDH1A1PDE7AMAPTNPSR1MEN1
SCHEMBL1575377 0.75 ALDH1A1 (0.57) ALDH1A1CYP2A6TDP1HPGDICAM1
SCHEMBL6200993 0.75 CYP2A6 (0.62) ALDH1A1CYP2A6ICAM1ITGALITGB2
SCHEMBL6852277 0.75 PDE7A (0.79) ALDH1A1PDE7AMAPTNPSR1MEN1
SCHEMBL6924085 0.74 ERN1 (0.43) ALDH1A1PDE7AMAPTNPSR1MEN1
SCHEMBL8678351 0.72 ALDH1A1 (0.51) ALDH1A1PDE7AMAPTNPSR1MEN1

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