SCHEMBL9836752

SCHEMBL9836752

O=C(COc1ccc(C2=NNC(=O)NC2)cc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 9/20 0.56
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9838462 0.92 GPR132 (0.48) GPR34
SCHEMBL9836354 0.87 GPR34 (0.48) GPR34MEN1KMT2APKMSMN1; SMN2
SCHEMBL9837251 0.86 POLB (0.46) GPR34MEN1KMT2ASMN1; SMN2
SCHEMBL9837508 0.83 KMT2A (0.56) MEN1ALDH1A1KMT2A
SCHEMBL9836985 0.78 ALOX15 (0.42) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7296506 0.77 GPR34 (0.73) GPR34MEN1ALDH1A1LMNAKMT2A
SCHEMBL10727176 0.77 GPR34 (0.73) GPR34MEN1ALDH1A1LMNAKMT2A
SCHEMBL7970010 0.77 GPR34 (0.73) GPR34MEN1ALDH1A1LMNAKMT2A
SCHEMBL10724456 0.74 GPR34 (0.83) GPR34MEN1ALDH1A1LMNAKMT2A
SCHEMBL28965739 0.74 GPR34 (0.69) GPR34MEN1ALDH1A1LMNAKMT2A

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