SCHEMBL20490265

SCHEMBL20490265

O=C(NO)C(c1ccccc1)c1cccc(OCc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM17 P78536 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.49
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SMPD1 P17405 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL20490349 0.94 MMP2 (0.57) MMP2MMP9MMP14ADAM17MRGPRX4
SCHEMBL20490556 0.87 SMPD1 (0.59) KMT2ASMN1; SMN2SMPD1HDAC4HDAC7
SCHEMBL20490571 0.87 NR4A2 (0.60) ADAM17MRGPRX4MAOB
SCHEMBL20490148 0.85 MRGPRX4 (0.54) ADAM17MRGPRX4KMT2ASMN1; SMN2SMPD1
SCHEMBL20490573 0.83 MAOB (0.54) KMT2ASMN1; SMN2SMPD1HDAC4HDAC7
SCHEMBL2844658 0.83 NR4A2 (0.57) KMT2ASMN1; SMN2SMPD1HDAC4HDAC7
SCHEMBL2839915 0.82 NR4A2 (0.56) KMT2ASMN1; SMN2SMPD1HDAC4HDAC7
SCHEMBL20490186 0.82 HDAC4 (0.53) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490621 0.80 HDAC4 (0.50) MMP2ADAM17KMT2ASMN1; SMN2SMPD1
SCHEMBL20490460 0.79 NR4A2 (0.62) MRGPRX4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed