SCHEMBL18072248

SCHEMBL18072248

O=C(I)NCCn1cncn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.53
NAMPT P43490 1/20 0.43
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MAPT P10636 1/20 0.38
FDPS P14324 1/20 0.38
TNKS2 Q9H2K2 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL18072326 0.82 EGLN3 (0.53) EGLN3NAMPTFPR3FPR2LOXL2
SCHEMBL20445070 0.82 EGLN3 (0.53) EGLN3NAMPTFPR3FPR2LOXL2
SCHEMBL19755640 0.78 EGLN3 (0.49) EGLN3NAMPTFPR3FPR2LOXL2
SCHEMBL4517015 0.75 EGLN3 (0.44) EGLN3NAMPTFPR3FPR2LOXL2
SCHEMBL23609328 0.75 EGLN3 (0.44) EGLN3NAMPTFPR3FPR2LOXL2
SCHEMBL20942726 0.74 EGLN3 (0.45) EGLN3NAMPTFPR3FPR2LOXL2
SCHEMBL18381426 0.74 EGLN3 (0.61) EGLN3NAMPTFPR3FPR2LOXL2
SCHEMBL29531015 0.74 NAMPT (0.54) EGLN3NAMPTLOXL2HDAC1HDAC6
SCHEMBL23609337 0.74 EGLN3 (0.45) EGLN3NAMPTFPR3FPR2CYP1A2
SCHEMBL3507025 0.74 EGLN3 (0.56) EGLN3FPR3FPR2CYP1A2CYP3A4

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
WO-2016144703-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2016-09-15 WO disclosed