SCHEMBL30903008

SCHEMBL30903008

COC(=O)Cc1cc(Cl)nc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.50
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 2/20 0.39
RPS6KB2 Q9UBS0 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 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
SCHEMBL16533429 0.88 HSP90AB1 (0.58) HSP90AB1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL31274783 0.86 HSP90AB1 (0.46) HSP90AB1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15317599 0.82 ALDH1A1 (0.43) HSP90AB1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2541070 0.78 RECQL (0.41) HSP90AB1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5897930 0.78 SMN1; SMN2 (0.37) HSP90AB1ALDH1A1RAB9AKDM4ETAS1R3
SCHEMBL29879916 0.78 RECQL (0.41) HSP90AB1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL24094576 0.77 HSP90AB1 (0.46) HSP90AB1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL17169789 0.77 SMN1; SMN2 (0.38) HSP90AB1ALDH1A1KDM4ETAS1R3TAS1R1
SCHEMBL30903033 0.76 HSP90AB1 (0.45) HSP90AB1ALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7451596 0.75 SMN1; SMN2 (0.38) HSP90AB1ALDH1A1RAB9AKDM4ETAS1R3

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-2024105563-A1 SUBSTITUTED BICYCLIC PYRIDONE DERIVATIVES PFIZER INC. (US) 2024-05-23 WO disclosed