SCHEMBL3381907

SCHEMBL3381907

N=C(N)NCCCC(C(=O)O)N(Cl)Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALB P02768 1/20 0.31
DDAH1 O94760 1/20 0.31
GAA P10253 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL3381913 1.00 OTC (0.35) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL3382059 0.87 ALOX15 (0.36) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL3382062 0.87 ALOX15 (0.36) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL3377213 0.87 ALOX15 (0.36) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL3377211 0.87 ALOX15 (0.36) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL28986669 0.82 ALOX15 (0.37) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL196827 0.81 NOS2 (0.38) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL160690 0.81 NOS2 (0.38) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL288819 0.81 NOS2 (0.38) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL2673036 0.81 ALOX15 (0.36) OTCALOX15MEN1KMT2ACYP1A2

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed