SCHEMBL6622604

SCHEMBL6622604

O=C1CCc2c(-c3ccc(F)cc3)[nH]c3c(Cl)ccc1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
PTK2B Q14289 1/20 0.44
MAPK14 Q16539 2/20 0.33
MET P08581 1/20 0.33
BRD4 O60885 1/20 0.33
PTGS2 P35354 4/20 0.33
PARP1 P09874 3/20 0.33
PARP2 Q9UGN5 3/20 0.33
DYRK3 O43781 1/20 0.33
TNKS O95271 1/20 0.33
PGR P06401 1/20 0.33
CDK1 P06493 1/20 0.33
ADRB1 P08588 1/20 0.33
POLA1 P09884 1/20 0.33
PIM1 P11309 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
CDK16 Q00536 1/20 0.33
PDE4D Q08499 1/20 0.33
KCNH2 Q12809 1/20 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
SCHEMBL6626884 0.89 HTT (0.46) HTTPTK2BBRD4PARP1TNKS2
SCHEMBL6627208 0.87 HTT (0.44) HTTPTK2BMAPK14BRD4PARP1
SCHEMBL6623153 0.87 HTT (0.44) HTTPTK2BBRD4PARP1TNKS2
SCHEMBL6623903 0.87 HTT (0.44) HTTPTK2BBRD4PARP1
SCHEMBL6625269 0.86 HTT (0.46) HTTPTK2BBRD4PARP1CDK1
SCHEMBL6624684 0.84 HTT (0.41) HTTPTK2BPARP1SIRT2
SCHEMBL6623944 0.84 PARP1 (0.46) HTTPTK2BMAPK14METBRD4
SCHEMBL6623859 0.76 PARP1 (0.41) BRD4PARP1
SCHEMBL6624195 0.76 PARP1 (0.53) PARP1
SCHEMBL6627070 0.75 BRD4 (0.48) HTTPTK2BBRD4PARP1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed