SCHEMBL11724992

SCHEMBL11724992

O=C=NCCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 1/20 0.35

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
SCHEMBL11727202 0.94 HRH3 (0.54) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL12338663 0.89 HRH3 (0.33) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL10645198 0.86 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL24162861 0.82 PAOX (0.43) SMN1; SMN2MAPTALDH1A1
SCHEMBL14331397 0.80 KEAP1 (0.44) SMN1; SMN2ALOX15
SCHEMBL6946106 0.80 SMN1; SMN2 (0.48) CYP1A2MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL28752459 0.80 CXCR4 (0.46) HRH3SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL3997403 0.79 HRH3 (0.50) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL31528856 0.77 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL23465166 0.76 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 US disclosed