SCHEMBL9835637

SCHEMBL9835637

O=C(COc1ccc(C2=NNC(=O)NC2)cc1)NCCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 1/20 0.56
ACHE P22303 8/20 0.55
ALDH1A1 P00352 2/20 0.53
FAAH O00519 4/20 0.49
BCHE P06276 2/20 0.49
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL10459751 0.91 ACHE (0.51) KDM4EKMT2AACHEALDH1A1FAAH
SCHEMBL9834714 0.91 ACHE (0.48) KDM4EKMT2AACHEALDH1A1FAAH
Water SCHEMBL9836672 0.90 ACHE (0.48) KDM4EKMT2AACHEALDH1A1FAAH
Water SCHEMBL9836678 0.90 ACHE (0.48) KDM4EKMT2AACHEALDH1A1FAAH
SCHEMBL9836501 0.90 MAPK1 (0.52) KDM4EKMT2AACHEALDH1A1FAAH
Water SCHEMBL9837110 0.86 ALDH1A1 (0.52) KDM4EKMT2AACHEALDH1A1FAAH
Water SCHEMBL9837115 0.86 ALDH1A1 (0.52) KDM4EKMT2AACHEALDH1A1FAAH
SCHEMBL9837508 0.78 KMT2A (0.56) KDM4EKMT2AALDH1A1POLB
SCHEMBL9835723 0.77 BCHE (0.49) ACHEBCHE
SCHEMBL9836985 0.76 ALOX15 (0.42) KDM4EKMT2AALDH1A1SMN1; SMN2PDE3B

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-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP disclosed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed