SCHEMBL21451007

SCHEMBL21451007

CC(C)(C)OC(O)N1CCN(c2nc3ccc(F)cc3c3c(=O)c4cc(F)ccc4sc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.43
TOP1 P11387 1/20 0.38
TOP2A P11388 1/20 0.38
TP53 P04637 5/20 0.35
MAPT P10636 6/20 0.33
LMNA P02545 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV1 Q8NER1 3/20 0.32
THRB P10828 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL21451064 0.84 HRH4 (0.43) HRH4TOP1TOP2ATP53MAPT
SCHEMBL21451025 0.79 TOP1 (0.58) HRH4TOP1TOP2ATP53MAPT
SCHEMBL21451005 0.78 GBA1 (0.49) HRH4TOP1TOP2ATP53
SCHEMBL30089834 0.76 HRH4 (0.56) HRH4TOP1TOP2A
SCHEMBL21451020 0.76 HRH4 (0.56) HRH4TOP1TOP2A
SCHEMBL21450998 0.75 TOP1 (0.56) HRH4TOP1TOP2AMAPTLMNA
SCHEMBL30089860 0.74 MAPT (0.51) HRH4TOP1TOP2AMAPTLMNA
SCHEMBL21451000 0.74 MAPT (0.51) HRH4TOP1TOP2AMAPTLMNA
SCHEMBL21450999 0.74 TOP1 (0.55) HRH4TOP1TOP2AMAPTLMNA
SCHEMBL21451019 0.72 TOP1 (0.69) HRH4TOP1TOP2A

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-2019191896-A1 FMS-LIKE TYROSINE KINASE INHIBITORS 3SM BIOTRON INC. (CN) 2019-10-10 WO disclosed