SCHEMBL7555419

SCHEMBL7555419

Cc1ccc2[nH]c(=O)c(C(=O)N(C)c3ccccc3)c(N(C)C)c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
POLB P06746 3/20 0.39
GPBAR1 Q8TDU6 4/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CSF1R P07333 1/20 0.35
PGR P06401 1/20 0.35
MAP3K5 Q99683 1/20 0.35
GNRHR P30968 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 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
SCHEMBL7818937 0.87 PTGS2 (0.44) PTGS2POLBGPBAR1KMT2AMEN1
SCHEMBL7563981 0.81 GPBAR1 (0.40) PTGS2POLBGPBAR1KMT2AMEN1
SCHEMBL7558468 0.78 GPBAR1 (0.38) PTGS2POLBGPBAR1KMT2AMEN1
SCHEMBL7557817 0.78 GPBAR1 (0.40) PTGS2GPBAR1
SCHEMBL6202118 0.75 MEN1 (0.43) PTGS2POLBKMT2AMEN1TDP1
SCHEMBL5165927 0.75 MAP3K5 (0.38) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7565085 0.74 KDM4E (0.40) PTGS2POLBKMT2AMEN1MAPT
SCHEMBL7557482 0.74 PTGS2 (0.36) PTGS2POLBKMT2AMEN1MAPT
SCHEMBL7862448 0.73 KMT2A (0.38) PTGS2POLBGPBAR1KMT2AMEN1
SCHEMBL40302 0.73 MEN1 (0.45) POLBKMT2AMEN1MAPTSMN1; SMN2

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-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed