SCHEMBL25511637

SCHEMBL25511637

Cc1c(O)cc(O)c(C(=O)N2Cc3ccc(CN4CCN(CCOCCOCCOCCN)CC4)cc3C2)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
HSP90B1 P14625 1/20 0.45
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 7/20 0.40
MAOA P21397 3/20 0.40
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
Hydrochloric Acid SCHEMBL30462425 0.99 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
Hydrochloric Acid SCHEMBL25229510 0.99 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL25511806 0.95 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL25234560 0.91 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL25222618 0.89 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1HTR2AKDM4E
SCHEMBL30301547 0.89 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1HTR2AKDM4E
SCHEMBL25208478 0.88 HSP90AA1 (0.41) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL30462412 0.86 SIGMAR1 (0.42) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL30462403 0.86 SIGMAR1 (0.42) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL29263229 0.86 SIGMAR1 (0.42) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7

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
WO-2023094833-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2023-06-01 WO disclosed