SCHEMBL8102471

SCHEMBL8102471

CC(=O)NC1=C(CCCCl)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.57
HSP90AB1 P08238 9/20 0.57
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
S100A4 P26447 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL8102032 0.94 HSP90AA1 (0.55) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8108853 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8102489 0.86 MAPT (0.52) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8100385 0.86 MAPT (0.50) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8108866 0.86 HSP90AA1 (0.54) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8092958 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8102043 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8093023 0.84 TDP2 (0.64) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8102106 0.84 HSP90AA1 (0.58) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT
SCHEMBL8092562 0.81 MAPT (0.45) HSP90AA1HSP90AB1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed