SCHEMBL19036487

SCHEMBL19036487

CNC(=O)c1c(NC)ncn1CC(=O)NC(=N)/C=C(\O)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 6/20 0.37
▸ FLT1 P17948 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DRD2 P14416 1/20 0.31

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
SCHEMBL15075726 0.74 POLB (0.57) TRPA1KMT2AMEN1ALDH1A1POLB
SCHEMBL20079645 0.69 CYP11B2 (0.44) YTHDC1FLT1KDRKMT2AMEN1
SCHEMBL19036437 0.68 ALDH1A1 (0.58) YTHDC1TDP1KMT2AMEN1ALDH1A1
SCHEMBL10394340 0.67 GAA (0.54) YTHDC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19036473 0.67 YTHDC1 (0.44) YTHDC1RAB9ADRD2DRD4DRD3
SCHEMBL20079722 0.66 YTHDC1 (0.45) YTHDC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19036600 0.66 YTHDC1 (0.37) YTHDC1RAB9A
SCHEMBL9010469 0.64 IKBKB (0.36) YTHDC1HDAC1HDAC2RAB9A
SCHEMBL18175167 0.64 LMNA (0.37) YTHDC1
SCHEMBL20079775 0.63 PTGS2 (0.43) KMT2AMEN1ALDH1A1MAPTGAA

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-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
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