SCHEMBL28294948

SCHEMBL28294948

CCCCCNC(Cc1ccccc1)CN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.53
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
UGCG Q16739 1/20 0.42
LTA4H P09960 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
BCHE P06276 1/20 0.39

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
Bromide SCHEMBL5450419 0.79 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6850885 0.79 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
SCHEMBL9769074 0.78 LTA4H (0.49) SIGMAR1MEN1KMT2ALTA4HDPP7
SCHEMBL21175470 0.77 SIGMAR1 (0.70) SIGMAR1MEN1KMT2A
SCHEMBL9415949 0.76 SIGMAR1 (0.60) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5616415 0.74 SIGMAR1 (0.58) SIGMAR1MEN1KMT2A
SCHEMBL9321415 0.74 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ALTA4HDPP7
SCHEMBL7683399 0.74 UGCG (0.69) MEN1KMT2AUGCG
SCHEMBL25590992 0.73 SIGMAR1 (0.57) SIGMAR1MEN1KMT2A
SCHEMBL9322137 0.73 SIGMAR1 (0.47) SIGMAR1MEN1KMT2ALTA4HDPP7

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-105658625-B Indole amide compounds as inhibitors of cellular necrosis 株式会社LG化学 2019-05-03 CN claimed