SCHEMBL9568026

SCHEMBL9568026

O=C(CC1CCCc2ccccc21)NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DHODH Q02127 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
KDM4C Q9H3R0 4/20 0.43
KDM5A P29375 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HAO1 Q9UJM8 1/20 0.42
UGCG Q16739 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL9568036 0.93 ALDH1A1 (0.50) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL9568002 0.88 MEN1 (0.49) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL9427135 0.79 PTGIR (0.69) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL30301824 0.77 FFAR1 (0.52) MEN1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL3590904 0.77 FFAR1 (0.52) MEN1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL9567996 0.75 ALDH1A1 (0.51) MEN1KMT2AHTTALDH1A1DHODH
SCHEMBL9568039 0.75 UGCG (0.52) MEN1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL9567949 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL9567971 0.75 PRMT5 (0.53) HTTALDH1A1DHODHL3MBTL1KDM4C
SCHEMBL2993635 0.75 KDM4C (0.49) MEN1KMT2AHTTALDH1A1RAB9A

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
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed