SCHEMBL10182164

SCHEMBL10182164

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.46
NLRP3 Q96P20 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 2/20 0.42

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
SCHEMBL1153915 0.89 NPC1 (0.48) NPC1RAB9ADNMT3ANLRP3HDAC1
SCHEMBL10180395 0.88 CNR1 (0.50) DNMT3ANLRP3HDAC1HDAC6CNR1
SCHEMBL10180958 0.88 DNMT3A (0.49) DNMT3ANLRP3HDAC1HDAC6CNR1
SCHEMBL10181010 0.87 DNMT3A (0.54) DNMT3ANLRP3HDAC1HDAC6CNR2
SCHEMBL10181141 0.87 DNMT3A (0.48) DNMT3ANLRP3HDAC1HDAC6CNR1
SCHEMBL10182128 0.86 NPC1 (0.47) NPC1RAB9ADNMT3ANLRP3MEN1
SCHEMBL10181758 0.85 DNMT3A (0.53) DNMT3ANLRP3HDAC1HDAC6CNR1
SCHEMBL10181170 0.85 DNMT3A (0.52) DNMT3ANLRP3HDAC1HDAC6CNR2
SCHEMBL10180483 0.85 DNMT3A (0.46) DNMT3ANLRP3HDAC1HDAC6CNR1
SCHEMBL10180600 0.84 DNMT3A (0.49) DNMT3ANLRP3HDAC1HDAC6

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-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP claimed