SCHEMBL23609153

SCHEMBL23609153

C=NC(c1ccc(Cl)cc1)c1ccc(F)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.38
PSEN2 P49810 7/20 0.38
APH1B Q8WW43 7/20 0.38
NCSTN Q92542 7/20 0.38
APH1A Q96BI3 7/20 0.38
PSENEN Q9NZ42 7/20 0.38
KCNH2 Q12809 3/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
MDM2 Q00987 5/20 0.33
MDM4 O15151 2/20 0.33
AGBL2 Q5U5Z8 1/20 0.32
KCNA5 P22460 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
SCHEMBL25482226 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21911296 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21831883 0.78 F2RL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30910912 0.78 F2RL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21911306 0.77 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25482219 0.69 DAO (0.41) AGBL2
SCHEMBL23055121 0.69 AGBL2 (0.38) AGBL2
SCHEMBL30910896 0.68 F2RL1 (0.45) SLC6A4AGBL2
SCHEMBL21831133 0.68 F2RL1 (0.45) SLC6A4AGBL2
SCHEMBL13863848 0.68 AGBL2 (0.38) KCNH2HTR2ASLC6A4AGBL2

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-2021133748-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed