SCHEMBL17102198

SCHEMBL17102198

CN1CCN(CCS(N)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
PAOX Q6QHF9 1/20 0.38
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.34
HTR7 P34969 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
MC4R P32245 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL3903913 0.87 PAOX (0.44) CA2CA1CA9PAOXHTR7
SCHEMBL13974361 0.81 HRH3 (0.37) CA2CA1
SCHEMBL3218443 0.81 L3MBTL1 (0.41) CA2CA1
SCHEMBL2485662 0.79 L3MBTL1 (0.45) CA2CA1LMNASMN1; SMN2
SCHEMBL12015831 0.79 PAOX (0.39) CA2CA1CA9PAOXLMNA
SCHEMBL13485582 0.79 PAOX (0.39) CA2CA1CA9PAOXHTR7
SCHEMBL3607141 0.77 PAOX (0.42) CA2CA1CA9PAOXALOX15
SCHEMBL17850520 0.77 PAOX (0.38) CA2CA1CA9PAOXLMNA
SCHEMBL18803169 0.77 PAOX (0.38) CA2CA1CA9PAOXHTR7
Hydrochloric Acid SCHEMBL11534273 0.77 L3MBTL1 (0.43) CA2CA1LMNASMN1; SMN2

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
EP-3119763-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Iteos Therapeutics (BE) 2017-01-25 EP disclosed
WO-2015140717-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 WO disclosed