SCHEMBL11664985

SCHEMBL11664985

Cc1c2c(nn1-c1ccc(Br)cc1F)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SLC34A1 Q06495 1/20 0.36
AKR1B1 P15121 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ACHE P22303 4/20 0.35
BCHE P06276 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
PSEN1 P49768 7/20 0.35
PSEN2 P49810 7/20 0.35
APH1B Q8WW43 7/20 0.35
NCSTN Q92542 7/20 0.35
APH1A Q96BI3 7/20 0.35
PSENEN Q9NZ42 7/20 0.35
ENPP2 Q13822 2/20 0.35
NMT1 P30419 1/20 0.34
MET P08581 1/20 0.33

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
SCHEMBL7941448 0.84 SLC34A1 (0.38) LMNASLC34A1ACHEBCHEGRIN1
SCHEMBL11594612 0.84 ENPP2 (0.38) LMNAAKR1B1RXFP1ACHEBCHE
SCHEMBL11644929 0.81 LMNA (0.36) LMNAAKR1B1TP53MAPTACHE
SCHEMBL6500898 0.77 SLC34A1 (0.36) SLC34A1TP53MAPT
SCHEMBL16149745 0.77 ENPP2 (0.45) TP53MAPTENPP2
SCHEMBL11737366 0.75 TP53 (0.44) LMNAAKR1B1TP53MET
SCHEMBL10563884 0.75 SLC34A1 (0.36) SLC34A1ACHEBCHEGRIN1GRIN2A
SCHEMBL10561933 0.74 SLC34A1 (0.35) SLC34A1PSEN1PSEN2APH1BNCSTN
SCHEMBL11594212 0.73 ENPP2 (0.36) ACHEBCHEGRIN1GRIN2AENPP2
SCHEMBL11642571 0.72 KMT2A (0.38) ACHEBCHEGRIN1GRIN2AENPP2

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
US-4124374-A Alkyl-substituted cycloalkanapyrazole herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-11-07 US disclosed