SCHEMBL8843515

SCHEMBL8843515

NC(=O)CC(CN1CCSCC1)NCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
GAA P10253 1/20 0.38
DRD4 P21917 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
TPSAB1 Q15661 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
SCHEMBL8337943 0.85 HTT (0.52) KMT2AALDH1A1RAB9AGAAUSP2
SCHEMBL8843510 0.75 HTR1A (0.40) DPP4KMT2AGAA
SCHEMBL8843614 0.74 HTT (0.54) KMT2AALDH1A1RAB9AGAAUSP2
Hydrochloric Acid SCHEMBL8843297 0.73 HTT (0.53) KMT2AALDH1A1RAB9AUSP2HTT
SCHEMBL28071516 0.69 HSD17B10 (0.45) DPP4ALDH1A1KDM4E
SCHEMBL6803339 0.68 TLR2 (0.54)
SCHEMBL28071555 0.68 MMP1 (0.54) DPP4KMT2AALDH1A1DPP7
Hydrochloric Acid SCHEMBL28071361 0.68 KDM4E (0.45) DPP4KMT2AALDH1A1KDM4E
SCHEMBL27350497 0.68 TLR2 (0.54)
SCHEMBL8065316 0.68 ALDH1A1 (0.64) KMT2AALDH1A1RAB9AGAAKDM4E

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed