SCHEMBL8337947

SCHEMBL8337947

COC=C(C(=O)OOc1cc(Oc2ccccc2C)ncn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP4K4 O95819 1/20 0.34
RAF1 P04049 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL8337937 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL2107178 0.89 KDM4E (0.38) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL2107181 0.89 KDM4E (0.38) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL8341508 0.86 L3MBTL1 (0.34) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL8499264 0.86 MAP4K4 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL2108063 0.86 MAP4K4 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL8341499 0.86 L3MBTL1 (0.34) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL4450551 0.82 CHRM4 (0.35) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL4450542 0.82 CHRM4 (0.35) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL30933024 0.82 SMN1; SMN2 (0.40) SMN1; SMN2MAPTLMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925675-A N-sulfonyliminodithio compounds useful for in plant and material protection BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed
US-5874025-A Timber preservative containing a copper compound BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5767137-A FOR INDUSTRIAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5703103-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5672617-A Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed