SCHEMBL8897777

SCHEMBL8897777

CCCOc1cc[n+]([O-])cc1CC(=N)CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8898591 0.89 KDM4E (0.32) KDM4EHPGDNPC1LMNARAB9A
SCHEMBL8896294 0.88 GPR84 (0.32) GPR84
SCHEMBL8895841 0.83 GPR84 (0.32) GPR84
SCHEMBL8897717 0.78 TSHR (0.32)
SCHEMBL8895776 0.77 GPR84 (0.32) GPR84
SCHEMBL8897749 0.77 PDE4A (0.31)
SCHEMBL8898660 0.74 GPR84 (0.32) GPR84
SCHEMBL8897389 0.73 MEN1 (0.32) HPGDNPC1RAB9AMAPTMEN1
SCHEMBL8897320 0.72 PDE4A (0.32)
SCHEMBL8895836 0.72

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