SCHEMBL6928719

SCHEMBL6928719

Cc1ccc(Sc2ccc(C=O)cc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
MAPT P10636 8/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 5/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 6/20 0.43
CYP2A6 P11509 1/20 0.43
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C9 P11712 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 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
SCHEMBL1575486 0.78 ALDH1A1 (0.42) MAPTHPGDKDM4EMEN1KMT2A
SCHEMBL6928587 0.77 CYP2A6 (0.47) MAPTHPGDKDM4EMEN1KMT2A
SCHEMBL6928823 0.77 ALDH1A1 (0.47) MAPTHPGDKDM4EMEN1KMT2A
SCHEMBL15776743 0.74 ALDH1A1 (0.36) MAPTHPGDKDM4ECYP3A4CYP2C19
SCHEMBL6925223 0.73 ALDH1A1 (0.43) MCL1MAPTHPGDKDM4ECYP3A4
SCHEMBL6927314 0.73 CYP2A6 (0.43) MAPTHPGDKDM4EMEN1KMT2A
SCHEMBL6735568 0.73 CYP2A6 (0.73) MCL1MAPTHPGDKDM4EMEN1
SCHEMBL20591218 0.73 CYP1A2 (0.54) MCL1MAPTHPGDKDM4ECYP3A4
SCHEMBL5661855 0.72 MAPT (0.72) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL29956523 0.72 TSHR (0.43) HPGDKDM4EALDH1A1CYP2A6TDP1

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