SCHEMBL10182128

SCHEMBL10182128

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2cc(OC(=O)O)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.45
NLRP3 Q96P20 3/20 0.44
CNR2 P34972 2/20 0.44
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1154084 0.89 DNMT3A (0.46) NPC1MEN1KMT2ADNMT3ANLRP3
SCHEMBL10181010 0.88 DNMT3A (0.54) DNMT3ANLRP3CNR2HDAC1HDAC6
SCHEMBL10181435 0.87 DNMT3A (0.48) NPC1MEN1KMT2ADNMT3ANLRP3
SCHEMBL10181758 0.86 DNMT3A (0.53) DNMT3ANLRP3CNR2HDAC1HDAC6
SCHEMBL10182164 0.86 NPC1 (0.48) NPC1MEN1KMT2ADNMT3ANLRP3
SCHEMBL10181170 0.86 DNMT3A (0.52) DNMT3ANLRP3CNR2HDAC1HDAC6
SCHEMBL10180600 0.85 DNMT3A (0.49) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL10182210 0.85 DNMT3A (0.54) NPC1DNMT3ANLRP3RAB9AHDAC1
SCHEMBL10180395 0.82 CNR1 (0.50) DNMT3ANLRP3CNR2HDAC1HDAC6
SCHEMBL10181387 0.82 DNMT3A (0.52) DNMT3ANLRP3CNR2HDAC1HDAC6

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