SCHEMBL10459751

SCHEMBL10459751

CN1CCN(CCNC(=O)COc2ccc(C3=NNC(=O)NC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.51
FAAH O00519 5/20 0.51
BCHE P06276 3/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL9835637 0.91 KDM4E (0.59) ACHEFAAHBCHEALDH1A1POLB
SCHEMBL9834714 0.90 ACHE (0.48) ACHEFAAHBCHEALDH1A1POLB
Water SCHEMBL9836672 0.90 ACHE (0.48) ACHEFAAHBCHEALDH1A1POLB
Water SCHEMBL9836678 0.90 ACHE (0.48) ACHEFAAHBCHEALDH1A1POLB
SCHEMBL9836501 0.90 MAPK1 (0.52) ACHEFAAHBCHEALDH1A1POLB
Water SCHEMBL9837115 0.89 ALDH1A1 (0.52) ACHEFAAHBCHEALDH1A1POLB
Water SCHEMBL9837110 0.89 ALDH1A1 (0.52) ACHEFAAHBCHEALDH1A1POLB
SCHEMBL9837508 0.77 KMT2A (0.56) ALDH1A1POLBKMT2AKDM4E
SCHEMBL9835723 0.77 BCHE (0.49) ACHEBCHE
SCHEMBL9836985 0.75 ALOX15 (0.42) ALDH1A1SMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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