SCHEMBL9491699

SCHEMBL9491699

CCSc1cc(C(CC)c2nc3cccc(C(=O)O)c3[nH]2)ccc1-c1ccccc1-c1nc(=O)o[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
APLNR P35414 2/20 0.34
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
CMKLR1 Q99788 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9494117 0.86 KDM4E (0.38) LMNAAPLNRMAPTKDM4ERAB9A
SCHEMBL9492707 0.81 APLNR (0.34) APLNRMAPTKDM4EHTTRAB9A
SCHEMBL9491571 0.79 KDM4E (0.37) LMNAAPLNRMAPTKDM4ERAB9A
SCHEMBL8357511 0.76 ALOX15 (0.35) LMNA
SCHEMBL789857 0.76 ABCB11 (0.36) CMKLR1
SCHEMBL9637462 0.70 BRS3 (0.37) APLNRMAPTKDM4EHTT
SCHEMBL8359387 0.70 TSHR (0.38) LMNAMAPTKDM4EHTTRAB9A
SCHEMBL9493716 0.69 BRS3 (0.39)
SCHEMBL8357507 0.69 FGFR1 (0.34) LMNA
SCHEMBL8868610 0.68 PARP1 (0.36) LMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed