SCHEMBL9567949

SCHEMBL9567949

O=C(CC1CCc2ccccc2C1)NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PTGIR P43119 2/20 0.43
PREP P48147 4/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
DGAT1 O75907 1/20 0.41
RECQL P46063 1/20 0.40
UGCG Q16739 1/20 0.40

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
SCHEMBL9568020 0.88 MEN1 (0.48) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9048602 0.81 PTGIR (0.71) PTGIR
SCHEMBL9427048 0.80 PTGIR (0.52) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9568036 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9568059 0.77 P2RX7 (0.46) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8713442 0.76 MTNR1A (0.52) PREPMTNR1AMTNR1BDGAT1UGCG
SCHEMBL7304447 0.76 DGAT1 (0.58) ALDH1A1PREPMTNR1AMTNR1BDGAT1
SCHEMBL3406500 0.76 DGAT1 (0.58) ALDH1A1PREPMTNR1AMTNR1BDGAT1
SCHEMBL7292707 0.76 DGAT1 (0.58) ALDH1A1PREPMTNR1AMTNR1BDGAT1
SCHEMBL30612421 0.76 DGAT1 (0.58) ALDH1A1PREPMTNR1AMTNR1BDGAT1

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