SCHEMBL9183552

SCHEMBL9183552

O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.66
▸ KMT2A Q03164 2/20 0.58
▸ MAPT P10636 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SERPINE1 P05121 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL23086156 0.88 MEN1 (0.60) LMNAKMT2AMAPTCA1CA2
SCHEMBL8537873 0.79 LMNA (0.60) LMNAKMT2AMAPTGFERTDP1
SCHEMBL10362010 0.79 LMNA (0.66) LMNAKMT2AMAPTGFERCA1
SCHEMBL10361963 0.79 LMNA (0.70) LMNAKMT2AMAPTGFERTDP1
SCHEMBL9187308 0.79 LMNA (0.56) LMNAKMT2AMAPTGFERTDP1
SCHEMBL9185852 0.77 DRD3 (0.57) TDP1
SCHEMBL10810867 0.76 LMNA (0.59) LMNAKMT2AMAPTGFERTDP1
SCHEMBL9183543 0.76 LMNA (0.59) LMNAKMT2AMAPTGFERTDP1
SCHEMBL10361975 0.76 LMNA (0.65) LMNAKMT2AMAPTGFERCA1
SCHEMBL10361959 0.76 LMNA (0.62) LMNAKMT2AMAPTGFERCA1

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
US-5432179-A Antiallergens ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 — — US disclosed
EP-0598123-A1 PIPERAZINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1994-05-25 — — EP disclosed
Send feedback