SCHEMBL7042998

SCHEMBL7042998

CC[n+]1c(OC)ccc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
POLB P06746 5/20 0.48
RAB9A P51151 5/20 0.42
ATM Q13315 2/20 0.42
ALDH1A1 P00352 7/20 0.41
HTT P42858 7/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
BLM P54132 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.40
SLC22A3 O75751 3/20 0.38
SLC22A2 O15244 2/20 0.38
SLC22A1 O15245 1/20 0.38
NQO2 P16083 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
SCHEMBL9645612 0.89 MEN1 (0.41) MEN1KMT2APOLBRAB9AATM
SCHEMBL17867480 0.75 KMT2A (0.51) MEN1KMT2APOLBRAB9AATM
SCHEMBL1049882 0.75 KDM4E (0.53) MEN1KMT2APOLBRAB9AATM
Iodide SCHEMBL29227333 0.73 KDM4E (0.51) MEN1KMT2APOLBRAB9AATM
Hydrochloric Acid SCHEMBL6333076 0.73 KDM4E (0.51) MEN1KMT2APOLBRAB9AATM
SCHEMBL11004477 0.73 ATM (0.48) MEN1KMT2APOLBRAB9AATM
SCHEMBL28250926 0.73 MEN1 (0.47) MEN1KMT2APOLBRAB9AATM
SCHEMBL28816897 0.73 MEN1 (0.44) MEN1KMT2APOLBRAB9AATM
SCHEMBL4625246 0.73 MEN1 (0.44) MEN1KMT2APOLBRAB9AATM
Iodide SCHEMBL82245 0.73 ALDH1A1 (0.51) MEN1KMT2APOLBRAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030021810-A1 Chlorotoxin inhibition of cell invasion, cancer metastasis, angiogenesis and tissue remodeling UAB RESEARCH FOUNDATION, THE 2003-01-30 US disclosed
WO-2003000203-A2 CHLOROTOXIN INHIBITION OF CELL INVASION, CANCER METASTASIS, ANGIOGENESIS AND TISSUE REMODELING UAB RESEARCH FOUNDATION (US) 2003-01-03 WO disclosed