SCHEMBL23936818

SCHEMBL23936818

NCCN(CCN)CCN1CCC(NI)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
ALOX15 P16050 1/20 0.31

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
SCHEMBL23936800 0.81 ALOX15 (0.50) SIGMAR1ALOX15
SCHEMBL21214119 0.79 SIGMAR1 (0.35) SIGMAR1
SCHEMBL21214195 0.78 GNAI3 (0.43) SIGMAR1ALOX15
SCHEMBL29041543 0.73 ALOX15 (0.62) SIGMAR1ALOX15
SCHEMBL8406067 0.71 SIGMAR1 (0.54) SIGMAR1ALOX15
Hydrochloric Acid SCHEMBL3672217 0.71 ALOX15 (0.59) SIGMAR1ALOX15
SCHEMBL31299554 0.68 KEAP1 (0.57) SIGMAR1ALOX15
SCHEMBL23706751 0.68 SIGMAR1 (0.41) SIGMAR1ALOX15
SCHEMBL825283 0.68 SIGMAR1 (0.41) SIGMAR1ALOX15
SCHEMBL14980601 0.68 ALOX15 (0.42) SIGMAR1ALOX15

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
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed