SCHEMBL6969192

SCHEMBL6969192

CCCCS[C@@]1(C(=O)O)CCCN1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL9297313 0.83 ARG1 (0.35) ARG1ARG2
SCHEMBL7339201 0.83 ARG1 (0.35) ARG1ARG2
SCHEMBL7339204 0.83 ARG1 (0.35) ARG1ARG2
SCHEMBL7340597 0.80 ARG1 (0.33) ARG1ARG2
SCHEMBL5029633 0.80 TSHR (0.35) ARG1ARG2KMT2A
SCHEMBL18280876 0.76 ARG1 (0.35) ARG1ARG2
SCHEMBL7269187 0.73 ARG1 (0.34) ARG1ARG2
SCHEMBL8936213 0.69 ARG1 (0.32) ARG1ARG2
SCHEMBL8936209 0.69 ARG1 (0.32) ARG1ARG2
SCHEMBL10969403 0.69 SLC6A2 (0.37) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272486-A1 METHOD FOR PRODUCING 7-(PYRAZOLE-3-YL) BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001068644-A1 METHOD FOR PRODUCING 7-(PYRAZOLE-3-YL) BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed