SCHEMBL18510205

SCHEMBL18510205

NOCCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ EPHX2 P34913 1/20 0.45
▸ CXCR2 P25025 1/20 0.41
▸ TLR2 O60603 3/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ FABP7 O15540 1/20 0.39
▸ FABP5 Q01469 1/20 0.39

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
SCHEMBL30353304 0.88 KMT2A (0.70) KMT2AEPHX2TLR2TLR1FABP7
SCHEMBL5423087 0.86 KMT2A (0.60) KMT2AEPHX2CXCR2TLR2TLR1
SCHEMBL17177621 0.85 KMT2A (0.76) KMT2AEPHX2CXCR2TLR2TLR1
SCHEMBL29617446 0.84 KMT2A (0.63) KMT2AEPHX2FABP7FABP5
SCHEMBL20464122 0.84 KMT2A (0.63) KMT2AEPHX2FABP7FABP5
SCHEMBL21320319 0.84 KMT2A (0.58) KMT2AEPHX2CXCR2TLR2TLR1
SCHEMBL29485093 0.84 KMT2A (0.74) KMT2AEPHX2CXCR2TLR2TLR1
SCHEMBL8654488 0.83 KMT2A (0.84) KMT2AEPHX2TLR2TLR1OPRD1
Hydrochloric Acid SCHEMBL29617452 0.83 KMT2A (0.62) KMT2AEPHX2TLR2OPRD1FABP7
SCHEMBL27326231 0.82 KMT2A (0.56) KMT2AEPHX2CXCR2TLR2TLR1

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
US-20170045526-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-02-16 — — US disclosed
Send feedback