SCHEMBL9568031

SCHEMBL9568031

O=C(C1CCCc2[c]cccc21)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
TSPO P30536 1/20 0.37
LMNA P02545 2/20 0.35
AGER Q15109 3/20 0.34
MTNR1A P48039 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9048031 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL9568094 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1HTT
SCHEMBL9568040 0.74 MCL1 (0.35) HTT
SCHEMBL9048669 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL8858393 0.74 PTGIR (0.52)
SCHEMBL9568044 0.73 PTGIR (0.40) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL8858504 0.71 MEN1 (0.39) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL9568056 0.70 PTGIR (0.40) ALDH1A1GAAKDM4EHTTLMNA
SCHEMBL9048026 0.69 SMN1; SMN2 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6061686 0.67 MEN1 (0.86) MEN1KMT2AALDH1A1GAANPSR1

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 1 patent. 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