SCHEMBL8997892

SCHEMBL8997892

Cl/C=C(\CN1CCOCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 3/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL8997897 1.00 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL11704878 0.83 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL11704872 0.83 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11708254 0.81 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11708249 0.81 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL9779133 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL31599355 0.75 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL3159167 0.75 ALDH1A1 (0.71) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL417375 0.75 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL4632544 0.70 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ALMNASMN1; SMN2

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-5574030-A INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES NIPPON CHEMIPHAR CO., LTD. (JP) 1996-11-12 US disclosed