SCHEMBL19036437

SCHEMBL19036437

CNC(=O)c1c(NC)ncn1CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CFTR P13569 1/20 0.43
▸ DHODH Q02127 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ POLB P06746 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ YTHDC1 Q96MU7 1/20 0.39
▸ PKM P14618 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
SCHEMBL20079645 0.76 CYP11B2 (0.44) MEN1KMT2AMAPTYTHDC1
SCHEMBL10114157 0.75 POLB (0.60) ALDH1A1LMNAKMT2ASMN1; SMN2HSD17B10
SCHEMBL20079722 0.69 YTHDC1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL20079689 0.68 KMT2A (0.50) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19036473 0.68 YTHDC1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL20079662 0.67 KMT2A (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12584286 0.67 MAPT (0.61) ALDH1A1LMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL2303467 0.66 RAB9A (0.59) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10280149 0.66 TRPA1 (0.36) RXFP1YTHDC1
SCHEMBL20079698 0.66 MAPT (0.38) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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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