SCHEMBL9568024

SCHEMBL9568024

NC(=O)C(CC1CCCc2ccccc21)C(c1ccccc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.48
KDM5A P29375 2/20 0.48
KDM5B Q9UGL1 2/20 0.48
TAOK1 Q7L7X3 3/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
TAOK3 Q9H2K8 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CYP19A1 P11511 1/20 0.39
TBXAS1 P24557 1/20 0.39
PDPK1 O15530 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL9046447 0.84 KDM4C (0.39) KDM4CKDM5AKDM5BTAOK1TRPM8
SCHEMBL9051195 0.81 TBXAS1 (0.44) KDM4CTBXAS1
SCHEMBL9568022 0.80 ALDH1A1 (0.52) ALDH1A1TRPM8MEN1POLBKMT2A
SCHEMBL9567976 0.76 TRPM8 (0.47) KDM4CKDM5AKDM5BTRPM8KMT2A
SCHEMBL9567969 0.76 KDM4C (0.45) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9568029 0.76 TAOK1 (0.49) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9567972 0.74 TAOK1 (0.48) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9568011 0.74 KDM4C (0.41) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9567988 0.73 TAOK1 (0.47) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9568075 0.73 TRPM8 (0.48) KDM4CKDM5AKDM5BALDH1A1TSHR

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