SCHEMBL8337946

SCHEMBL8337946

CC=C(C(=O)Oc1cc(Oc2ccccc2C)ncn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
MAP4K4 O95819 1/20 0.37
RAF1 P04049 1/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2107180 0.88 KDM4E (0.39) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL8341502 0.84 HTR2C (0.37) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL8499271 0.84 MAP4K4 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL2107519 0.84 KDR (0.32) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL2857206 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL4450548 0.80 CHRM4 (0.38) GCKPPARG
SCHEMBL8337947 0.79 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL8337937 0.79 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL6448580 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL27423640 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MAPTLMNANPC1RAB9A

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