SCHEMBL9567972

SCHEMBL9567972

O=C(NCCC1CCCc2ccccc21)NC(c1ccccc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.48
KDM4C Q9H3R0 5/20 0.47
KDM5A P29375 2/20 0.47
KDM5B Q9UGL1 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
TAOK3 Q9H2K8 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.40
DHODH Q02127 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9568062 0.91 TAOK1 (0.47) TAOK1KDM4CKDM5AKDM5BTRPV1
SCHEMBL9568013 0.89 TAOK1 (0.44) TAOK1KDM4CKDM5AKDM5BTRPV1
SCHEMBL9568029 0.86 TAOK1 (0.49) TAOK1KDM4CKDM5AKDM5BTRPV1
SCHEMBL9567997 0.83 HPGD (0.48) TAOK1KDM4CKDM5AKDM5BTRPV1
SCHEMBL8858624 0.83 TBXAS1 (0.59) KDM4CTBXAS1
SCHEMBL9568050 0.81 KDM4C (0.47) TAOK1KDM4CKDM5AKDM5BTRPV1
SCHEMBL9046057 0.76 TBXAS1 (0.39) TAOK1KDM4CKDM5AKDM5BTAOK3
SCHEMBL9567963 0.76 ALDH1A1 (0.44) KDM4CKDM5AKDM5BTRPV1ALDH1A1
SCHEMBL8858663 0.74 TBXAS1 (0.57) KDM4CTBXAS1
SCHEMBL8858464 0.74 TBXAS1 (0.57) KDM4CTBXAS1

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