SCHEMBL6928587

SCHEMBL6928587

Cc1ccc(Sc2ccc(C=O)cc2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 10/20 0.41
HPGD P15428 5/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
ALDH1A3 P47895 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
ALDH3A1 P30838 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL3547431 0.81 HTR1A (0.45) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL6928823 0.81 ALDH1A1 (0.47) CYP2A6MAPTLMNANPSR1MEN1
SCHEMBL20535359 0.78 ALDH1A1 (0.53) CYP2A6MAPTLMNAMEN1KMT2A
SCHEMBL6927314 0.77 CYP2A6 (0.43) CYP2A6MAPTLMNANPSR1MEN1
SCHEMBL6928719 0.77 MCL1 (0.46) CYP2A6MAPTLMNANPSR1MEN1
SCHEMBL6735568 0.77 CYP2A6 (0.73) CYP2A6MAPTLMNANPSR1MEN1
SCHEMBL5661855 0.76 MAPT (0.72) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL5760222 0.75 ALDH1A3 (0.47) CYP2A6MAPTHTTTDP1ALDH1A1
SCHEMBL3544118 0.75 HTR1A (0.44) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL6923230 0.74 ERN1 (0.43) CYP2A6MAPTLMNANPSR1MEN1

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