SCHEMBL8897503

SCHEMBL8897503

CCOc1cc[n+]([O-])cc1CC(=N)CO

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8897777 0.89 KDM4E (0.34) ALDH1A1LMNARAB9AKMT2ASMN1; SMN2
SCHEMBL8897717 0.89 TSHR (0.32) TSHR
SCHEMBL8895841 0.85 GPR84 (0.32)
SCHEMBL8896294 0.85 GPR84 (0.32)
SCHEMBL8898591 0.78 KDM4E (0.32) ALDH1A1LMNARAB9AKMT2ASMN1; SMN2
SCHEMBL8898660 0.77 GPR84 (0.32)
SCHEMBL8895836 0.74
SCHEMBL8897320 0.74 PDE4A (0.32)
SCHEMBL8895776 0.74 GPR84 (0.32)
SCHEMBL8896832 0.74

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-5627136-A HERBICIDES, ANTIGROWTH REGULATORS AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed