SCHEMBL9568013

SCHEMBL9568013

S=C(NCCC1CCCc2ccccc21)NC(c1ccccc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.44
KDM4C Q9H3R0 3/20 0.43
KDM5A P29375 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
TAOK3 Q9H2K8 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 1/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL9567972 0.89 TAOK1 (0.48) TAOK1KDM4CKDM5AKDM5BTAOK3
SCHEMBL9568062 0.83 TAOK1 (0.47) TAOK1KDM4CKDM5AKDM5BTAOK3
SCHEMBL9568029 0.82 TAOK1 (0.49) TAOK1KDM4CKDM5AKDM5BTAOK3
SCHEMBL8858663 0.81 TBXAS1 (0.57) KDM4CTBXAS1SIGMAR1
SCHEMBL9567997 0.80 HPGD (0.48) TAOK1KDM4CKDM5AKDM5BTAOK3
SCHEMBL9568050 0.77 KDM4C (0.47) TAOK1KDM4CKDM5AKDM5BTAOK3
SCHEMBL9568011 0.73 KDM4C (0.41) TAOK1KDM4CKDM5AKDM5BTAOK3
SCHEMBL8858624 0.72 TBXAS1 (0.59) KDM4CTBXAS1
SCHEMBL9567963 0.71 ALDH1A1 (0.44) KDM4CKDM5AKDM5BTRPV1ALDH1A1
SCHEMBL9567988 0.70 TAOK1 (0.47) TAOK1KDM4CKDM5AKDM5BTAOK3

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