SCHEMBL11587252

SCHEMBL11587252

C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)N2CCCCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.58
MAPT P10636 5/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL11563947 1.00 DPP4 (0.58) DPP4MAPTF13A1TGM2TGM1
SCHEMBL11564344 0.99 DPP4 (0.59) DPP4MAPTF13A1TGM2TGM1
SCHEMBL11562219 0.94 DPP4 (0.53) DPP4MAPTSMN1; SMN2LMNATHRB
SCHEMBL11566458 0.93 DPP4 (0.53) DPP4MAPTF13A1TGM2TGM1
SCHEMBL11563596 0.91 DPP4 (0.50) DPP4MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL11566494 0.88 DPP4 (0.46) DPP4MAPTF13A1TGM2TGM1
SCHEMBL11559735 0.86 DPP4 (0.59) DPP4LMNAKMT2AMEN1USP2
SCHEMBL11559102 0.85 ALDH1A1 (0.41) DPP4MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL11566923 0.84 KMT2A (0.42) DPP4MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL11585583 0.81 DPP4 (0.56) DPP4MAPTSMN1; SMN2LMNAKMT2A

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-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed