SCHEMBL30744698

SCHEMBL30744698

C=C(C)c1nc(C(F)(F)F)ccc1CO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.34
PDE4B Q07343 1/20 0.32
P2RX7 Q99572 1/20 0.31
ADRB1 P08588 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL21492952 1.00 TKT (0.34) TKTPDE4BP2RX7ADRB1PSEN1
SCHEMBL21491806 0.85 TKT (0.32) TKTPDE4BP2RX7ADRB1
SCHEMBL26697497 0.84 TKT (0.33) TKT
SCHEMBL21503672 0.83 GABRA1 (0.33) TKTADRB1
SCHEMBL2866080 0.75 TKT (0.40) TKTPDE4BP2RX7
SCHEMBL3872590 0.73 PDE4B (0.37) TKTPDE4BP2RX7ADRB1
SCHEMBL28489701 0.73 TKT (0.35) TKTPDE4BP2RX7ADRB1
SCHEMBL1474657 0.72 TRPV1 (0.42) TKTPDE4BP2RX7ADRB1
SCHEMBL4492952 0.72 TKT (0.36) TKTPDE4BP2RX7ADRB1PSEN1
SCHEMBL21625533 0.72 AR (0.37)

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
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed