SCHEMBL9876905

SCHEMBL9876905

CCCCN(CCCC)P(N)(=O)N(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
SMPD1 P17405 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
LAP3 P28838 2/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32
GGPS1 O95749 3/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
DNM1 Q05193 1/20 0.31

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
SCHEMBL9876585 0.86 FDPS (0.32) FDPSCA12CA1CA9
SCHEMBL3889905 0.77 MMP1 (0.41) FDPSMMP1MMP2MMP3MMP8
SCHEMBL2788515 0.75 ALDH1A1 (0.41)
SCHEMBL11356909 0.74 S1PR2 (0.41) FDPSSMPD1S1PR2S1PR1S1PR3
SCHEMBL11360763 0.73 DNM1 (0.44) FDPSSMPD1S1PR2S1PR1S1PR3
SCHEMBL9551980 0.72 MMP1 (0.41) FDPSMMP1MMP2MMP3MMP8
SCHEMBL9503046 0.72 MMP1 (0.41) FDPSMMP1MMP2MMP3MMP8
SCHEMBL9504098 0.71 S1PR2 (0.38) FDPSMMP1MMP2MMP3MMP8
SCHEMBL9505625 0.71 S1PR2 (0.35) FDPSMMP1MMP2MMP3MMP8
SCHEMBL9246188 0.71 MMP1 (0.44) FDPSMMP1MMP2MMP3MMP8

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
US-5010201-A Process for the preparation of substituted 2-chloropyridines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed