SCHEMBL31599355

SCHEMBL31599355

[N-]=[N+]=NC/C=C(\CN1CCOCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 4/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL8997892 0.75 ALDH1A1 (0.49) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL8997897 0.75 ALDH1A1 (0.49) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL29210232 0.74 HDAC1 (0.43)
SCHEMBL11704872 0.74 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL11704878 0.74 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL29210200 0.73 PTPN1 (0.36)
SCHEMBL29210203 0.73 PTPN1 (0.36)
Hydrochloric Acid SCHEMBL11708254 0.72 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2APOLBLMNA
Hydrochloric Acid SCHEMBL11708249 0.72 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL9779133 0.68 ALDH1A1 (0.54) ALDH1A1MAPTKMT2APOLBLMNA

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-116396141-B Preparation method of bromine chloride or bromine azide 中国科学技术大学 2025-05-30 CN disclosed