SCHEMBL6628838

SCHEMBL6628838

CCOc1c(F)c(-c2cc(C)cc(C)c2)nn1CCOc1ccc(-c2ccc(SC)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33

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
SCHEMBL6604793 0.92 MAPT (0.36) HPGDRAB9AMAPTATML3MBTL1
SCHEMBL6603940 0.92 HPGD (0.41) HPGDRAB9AMAPTATML3MBTL1
SCHEMBL6809966 0.88 HPGD (0.39) HPGDRAB9AMAPTATML3MBTL1
SCHEMBL6603088 0.88 HPGD (0.40) HPGDRAB9AMAPTATML3MBTL1
SCHEMBL6603849 0.86 GCGR (0.38) HPGDRAB9AMAPTPPARDPPARA
SCHEMBL6607916 0.85 SLC6A9 (0.36) HPGDMAPTL3MBTL1TUBB4ATUBB
SCHEMBL6602016 0.85 HPGD (0.37) HPGDRAB9AMAPTATML3MBTL1
SCHEMBL6803663 0.84 ALDH1A1 (0.43) HPGDRAB9AMAPTATML3MBTL1
SCHEMBL6601580 0.83 L3MBTL1 (0.42) HPGDRAB9AMAPTATML3MBTL1
SCHEMBL6606600 0.83 MAPT (0.43) HPGDRAB9AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed