SCHEMBL9113436

SCHEMBL9113436

CCC1=NCCO1.c1ccc(C2=NCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
KCNN4 O15554 1/20 0.37
LTA4H P09960 1/20 0.36
MMP12 P39900 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL84185 0.84 KCNN4 (0.47) SMN1; SMN2KCNH2HRH3LMNAADRA2A
SCHEMBL21351777 0.84 KCNN4 (0.47) SMN1; SMN2KCNH2HRH3LMNAADRA2A
SCHEMBL9566190 0.82 KCNN4 (0.46) SMN1; SMN2KCNH2HRH3LMNAADRA2A
SCHEMBL961792 0.81 KCNN4 (0.44) SMN1; SMN2KCNH2HRH3ADRA2AADRA2B
SCHEMBL959821 0.80 SMN1; SMN2 (0.46) SMN1; SMN2KCNH2HRH3ADRA2AADRA2B
SCHEMBL28451854 0.79 KCNN4 (0.43) SMN1; SMN2KCNH2HRH3LMNAADRA2A
SCHEMBL14917574 0.78 ADRA2A (0.33) SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL25266 0.78
SCHEMBL2681836 0.78 KCNN4 (0.40) SMN1; SMN2KCNH2HRH3ADRA2AADRA2B
SCHEMBL3919995 0.76 ADRA2A (0.32) SMN1; SMN2ADRA2AADRA2BADRA2C

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
WO-1995021602-A1 POLYMER-CONTAINING HAIR CARE PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-08-17 WO disclosed