SCHEMBL9761676

SCHEMBL9761676

O=[N+]([O-])c1csc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
AR P10275 12/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL17266277 0.73 AR (0.61) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL4145551 0.71 LMNA (0.58) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL2499085 0.71 NPC1 (0.60) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL2698786 0.71 NPC1 (0.60) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL4463690 0.71 LMNA (0.68) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL24375919 0.71 LMNA (0.58) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL20243714 0.71 LMNA (0.58) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL18674645 0.71 LMNA (0.71) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL1063021 0.71 LMNA (0.54) LMNAARNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9282405 0.70 LMNA (0.57) LMNAARNPC1RAB9ASMN1; 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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed