SCHEMBL10416554

SCHEMBL10416554

CCCCN1CCCCN(CCCC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
DPP4 P27487 1/20 0.39
ALOX5 P09917 2/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A1 P04798 1/20 0.36
GBA1 P04062 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
RGS4 P49798 2/20 0.35
RGS8 P57771 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
SCHEMBL9633873 0.95 MEN1 (0.42) MEN1KMT2AGAATP53DPP4
SCHEMBL4424409 0.91 MEN1 (0.45) MEN1KMT2AGAATP53DPP4
SCHEMBL24822290 0.90 PER2 (0.39) MEN1KMT2AGAATP53DPP4
SCHEMBL4602079 0.90 ALOX5 (0.46) MEN1KMT2AGAATP53DPP4
SCHEMBL427150 0.90 ALOX5 (0.46) MEN1KMT2AGAAALOX5L3MBTL1
SCHEMBL14917572 0.89 ALOX5 (0.44) MEN1KMT2AGAATP53DPP4
SCHEMBL17836960 0.87 ALOX5 (0.47) GAATP53ALOX5ALDH1A1HPGD
SCHEMBL7044546 0.86 MEN1 (0.42) MEN1KMT2AGAATP53DPP4
SCHEMBL10582154 0.86 DPP4 (0.38) MEN1KMT2AGAATP53DPP4
SCHEMBL10416569 0.86 FKBP1A (0.41) MEN1KMT2AGAATP53ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4918186-A Process for producing cyclic ureas MITSUI TOATSU CHEMICALS, INC. (JP) 1990-04-17 US disclosed
US-4900820-A REACTING UREA WITH ACYCLIC DIAMINE MITSUI TOATSU CHEMICALS, INC. (JP) 1990-02-13 US disclosed
EP-0249136-A2 Process for producing cyclic ureas MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-12-16 EP disclosed
EP-0248220-A2 Process for producing cyclic ureas MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-12-09 EP disclosed