SCHEMBL9008769

SCHEMBL9008769

O=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCCN(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
PLAAT5 Q96KN8 5/20 0.36
PLAAT4 Q9UL19 5/20 0.36
PLAAT3 P53816 4/20 0.36
PLAAT2 Q9NWW9 4/20 0.36
KCNN4 O15554 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN1A P35498 1/20 0.33
HIF1A Q16665 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL9654002 0.75 KIF11 (0.46) KIF11KCNN4MEN1KMT2ALMNA
SCHEMBL12264129 0.71 KIF11 (0.61) KIF11KCNN4SIGMAR1
SCHEMBL4199968 0.69 KCNN4 (0.56) KIF11KCNN4MEN1KMT2ATDP1
SCHEMBL147990 0.67 KIF11 (0.65) KIF11KCNN4MEN1KMT2ATDP1
SCHEMBL22919848 0.67 KIF11 (0.55) KIF11KCNN4SIGMAR1
SCHEMBL10065920 0.65 KCNN4 (0.60) KIF11KCNN4ALDH1A1ALOX15TSHR
SCHEMBL17875119 0.65 KIF11 (0.44) KIF11KCNN4KMT2ALMNAALDH1A1
SCHEMBL27189892 0.65 KIF11 (0.45) KIF11KCNN4MEN1KMT2ATDP1
SCHEMBL28544425 0.65 KCNN4 (0.55) KIF11KCNN4KMT2ALMNAALDH1A1
SCHEMBL9926038 0.64 KIF11 (0.67) KIF11KCNN4

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-5554648-A NITROGEN MUSTARD ALKYLATING AGENTS WARNER LAMBERT COMPANY (US) 1996-09-10 US disclosed
US-5348977-A Cobalt complexes as anti-cancer agents WARNER LAMBERT COMPANY (US) 1994-09-20 US disclosed
EP-0496641-A2 Cobalt complexes as anticancer agents WARNER-LAMBERT COMPANY (US) 1992-07-29 EP disclosed