SCHEMBL5255060

SCHEMBL5255060

CC(C)(C)OC(=O)CN(Cc1nn(CCSc2ccccc2)nc1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SSTR4 P31391 1/20 0.34
▸ AGTR1 P30556 1/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ GSTO1 P78417 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ NR1D1 P20393 1/20 0.31
▸ SDCBP O00560 1/20 0.30
▸ SDC2 P34741 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CASR P41180 1/20 0.30

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
SCHEMBL5185410 0.92 CASR (0.35) SMN1; SMN2HTR2CSLC6A4SSTR4GSTO1
SCHEMBL5256146 0.81 SMN1; SMN2 (0.33) SMN1; SMN2HTR2CSLC6A4HDAC3HDAC1
SCHEMBL5257291 0.79 SMN1; SMN2 (0.38) SMN1; SMN2SDCBPSDC2KMT2A
SCHEMBL5259863 0.74 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1SDCBPSDC2KMT2A
SCHEMBL5185310 0.74 ALDH1A1 (0.35) SMN1; SMN2HTR2CSLC6A4ALDH1A1KMT2A
SCHEMBL5253493 0.73 SMN1; SMN2 (0.45) SMN1; SMN2HDAC3HDAC1HDAC2KDM4E
SCHEMBL5257722 0.72 SMN1; SMN2 (0.51) SMN1; SMN2HDAC3HDAC1HDAC2KDM4E
SCHEMBL5254786 0.72 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL5187917 0.68 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1ELANEKMT2A
SCHEMBL5185693 0.67 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1KMT2A

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-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 — — EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 — — EP disclosed
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