SCHEMBL16104142

SCHEMBL16104142

Cc1c(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc2n1CC=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
BCAT2 O15382 1/20 0.42
CCR2 P41597 3/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
PRMT1 Q99873 1/20 0.41

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
SCHEMBL14979165 0.88 PTGDR2 (0.54) PTGDR2KDM4EMAPTHDAC1HDAC6
SCHEMBL16085964 0.85 PTGDR2 (0.46) PTGDR2KDM4EMAPTHDAC1HDAC6
SCHEMBL16153720 0.81 PTGDR2 (0.53) PTGDR2KDM4EMAPTHDAC1HDAC6
SCHEMBL21280222 0.77 KMT2A (0.53) PTGDR2KDM4EMAPTMEN1NPC1
SCHEMBL14979183 0.77 PTGDR2 (0.52) PTGDR2MAPTHDAC1HDAC6MEN1
SCHEMBL21280071 0.76 PTGDR2 (0.56) PTGDR2KDM4EMAPTHDAC1HDAC6
SCHEMBL14979188 0.76 PTGDR2 (0.58) PTGDR2MEN1NPC1RAB9AKMT2A
SCHEMBL16153717 0.75 PTGDR2 (0.54) PTGDR2MAPTHDAC1HDAC6MEN1
SCHEMBL16085864 0.74 TDP1 (0.47) PTGDR2KDM4EMAPTHDAC1HDAC6
SCHEMBL16155841 0.74 PTGDR2 (0.53) PTGDR2HDAC1HDAC6MEN1KMT2A

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
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed