SCHEMBL8355960

SCHEMBL8355960

ClCc1cc(C2CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALPL P05186 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.43
ADAM17 P78536 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL31732385 0.85 POLB (0.62) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL8355458 0.85 POLB (0.62) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL26934006 0.83 POLB (0.56) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL26947842 0.80 POLB (0.52) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL28586117 0.78 POLB (0.54) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL6489161 0.77 POLB (0.61) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL28581193 0.76 POLB (0.52) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL6489166 0.76 POLB (0.59) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL6479282 0.76 POLB (0.64) POLBALDH1A1HPGDHTTCYP1A2
SCHEMBL28284859 0.75 POLB (0.58) POLBALDH1A1HPGDHTTCYP1A2

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
US-7598242-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598242-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-10-06 US disclosed
WO-2003053915-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2003-07-03 WO disclosed