SCHEMBL9568002

SCHEMBL9568002

O=C(CCC1CCCc2ccccc21)NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DHODH Q02127 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM5A P29375 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
PTGIR P43119 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL9568026 0.88 MEN1 (0.51) MEN1KMT2ADHODHL3MBTL1HTT
SCHEMBL9568036 0.81 ALDH1A1 (0.50) MEN1KMT2ADHODHL3MBTL1HTT
SCHEMBL9047770 0.80 PTGIR (0.70) MEN1KMT2ASIGMAR1KDM4CPTGIR
SCHEMBL5623941 0.78 HTR6 (0.51) HTTTRPV1KDM4CKDM5AKDM5B
SCHEMBL9567987 0.76 ALDH1A1 (0.49) MEN1KMT2ADHODHL3MBTL1HTT
SCHEMBL9567963 0.76 ALDH1A1 (0.44) KMT2ADHODHL3MBTL1HTTALDH1A1
SCHEMBL9568077 0.76 TRPV1 (0.46) DHODHL3MBTL1HTTALDH1A1TRPV1
SCHEMBL9568020 0.76 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1566782 0.76 SIGMAR1 (0.49) ALDH1A1TRPV1SIGMAR1
SCHEMBL5622296 0.74 KDM4C (0.54) MEN1KMT2AL3MBTL1HTTALDH1A1

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