SCHEMBL9567992

SCHEMBL9567992

O=CN(CCC1CCCc2ccccc21)CC(c1ccccc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 1/20 0.41
KDM4C Q9H3R0 4/20 0.41
KDM5A P29375 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
TAOK1 Q7L7X3 2/20 0.41
TAOK3 Q9H2K8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL9048661 0.84 TBXAS1 (0.40) TBXAS1KDM4CKDM5AKDM5BTAOK1
SCHEMBL9567969 0.76 KDM4C (0.45) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9567997 0.74 HPGD (0.48) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9568011 0.74 KDM4C (0.41) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9568029 0.71 TAOK1 (0.49) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9568050 0.70 KDM4C (0.47) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9567972 0.70 TAOK1 (0.48) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9567988 0.69 TAOK1 (0.47) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9568024 0.69 KDM4C (0.48) CYP19A1TBXAS1KDM4CKDM5AKDM5B
SCHEMBL9568062 0.69 TAOK1 (0.47) CYP19A1TBXAS1KDM4CKDM5AKDM5B

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