SCHEMBL9654002

SCHEMBL9654002

OCCN(CCO)CCNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
KCNN4 O15554 2/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
DUT P33316 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12264129 0.81 KIF11 (0.61) KIF11KCNN4SMN1; SMN2DUT
SCHEMBL29679194 0.81 KIF11 (0.65) KIF11KCNN4MEN1KMT2ADUT
SCHEMBL147990 0.77 KIF11 (0.65) KIF11KCNN4MEN1KMT2ASMN1; SMN2
SCHEMBL22919848 0.76 KIF11 (0.55) KIF11KCNN4DUT
SCHEMBL12264131 0.75 KIF11 (0.74) KIF11KCNN4MEN1KMT2ADUT
SCHEMBL9008769 0.75 KIF11 (0.36) KIF11KCNN4MEN1KMT2AALDH1A1
SCHEMBL6251086 0.74 KIF11 (0.57) KIF11KCNN4DUT
SCHEMBL6066207 0.74 KIF11 (0.41) KIF11KCNN4MEN1KMT2ASMN1; SMN2
SCHEMBL9926038 0.73 KIF11 (0.67) KIF11KCNN4DUT
SCHEMBL9617559 0.73 KIF11 (0.78) KIF11KCNN4MEN1KMT2ADUT

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
EP-0496641-A2 Cobalt complexes as anticancer agents WARNER-LAMBERT COMPANY (US) 1992-07-29 EP disclosed