SCHEMBL6619456

SCHEMBL6619456

O=C(S)NCc1cn(-c2cc(F)c(N3CCSCC3)c(F)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.41
NOTUM Q6P988 1/20 0.40
KDM1A O60341 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5624193 0.89 NOTUM (0.53) MIFNOTUMKDM1AMAOAMAOB
SCHEMBL6528822 0.88 MIF (0.42) MIFNOTUMKDM1AMAOAMAOB
SCHEMBL6619473 0.85 MIF (0.37) MIFNOTUMKDM1AMAOAMAOB
SCHEMBL6528802 0.84 NOTUM (0.41) MIFNOTUMKDM1A
SCHEMBL6529873 0.84 MIF (0.38) MIFNOTUMKDM1AMAOAMAOB
SCHEMBL5623051 0.83 KDM1A (0.37) MIFNOTUMKDM1A
SCHEMBL6619465 0.82 NOTUM (0.35) MIFNOTUMMAOAMAOB
SCHEMBL5622951 0.82 NOTUM (0.50) NOTUM
SCHEMBL6527844 0.82 MIF (0.36) MIFNOTUMKDM1AMAOAMAOB
SCHEMBL5623115 0.81 NOTUM (0.51) NOTUMMAOAMAOB

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-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP disclosed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 WO disclosed