SCHEMBL4804034

SCHEMBL4804034

Cc1ccc(NC(=O)c2ccc(-c3nc(-c4c(F)cccc4Cl)[nH]c3Br)cc2)c(NC2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.40
PRSS12 P56730 4/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL4785770 0.96 PTGES (0.42) PTGESPRSS12MAPTALDH1A1LMNA
SCHEMBL4785631 0.93 PTGES (0.41) PTGESPRSS12MAPTALDH1A1LMNA
SCHEMBL4786434 0.88 PTGES (0.44) PTGESPRSS12MAPTALDH1A1LMNA
SCHEMBL4847730 0.85 PTGES (0.45) PTGESPRSS12MAPTALDH1A1LMNA
SCHEMBL4785781 0.83 PTGES (0.41) PTGESPRSS12MAPTALDH1A1LMNA
SCHEMBL4786085 0.83 PTGES (0.41) PTGESPRSS12CYP2D6CYP2C9HDAC8
SCHEMBL4787275 0.83 PTGES (0.41) PTGESPRSS12MAPTALDH1A1LMNA
SCHEMBL4786443 0.79 PTGES (0.44) PTGESPRSS12MAPTALDH1A1LMNA
SCHEMBL4786495 0.77 PTGES (0.47) PTGESPRSS12
SCHEMBL4784998 0.76 PTGES (0.45) PTGESPRSS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed