SCHEMBL4059419

SCHEMBL4059419

CC(NC(=O)N(S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TACR1 P25103 2/20 0.39
PDE2A O00408 3/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL3301583 0.88 TACR1 (0.52) TACR1
SCHEMBL6819378 0.79 SMN1; SMN2 (0.37) SMN1; SMN2POLBALDH1A1LMNAPDE2A
SCHEMBL7982476 0.77 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL7744085 0.76 HDAC8 (0.41) TACR1PDE2AHDAC8
SCHEMBL6816712 0.75 ALDH1A1 (0.47) SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6811708 0.75 ALDH1A1 (0.47) SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL7737905 0.75 ALDH1A1 (0.47) SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL3299439 0.75 TACR1 (0.49) ALDH1A1TACR1
SCHEMBL11512864 0.72 MAPT (0.49) SMN1; SMN2ALDH1A1LMNATACR1HDAC8
SCHEMBL3298749 0.71 MAPT (0.56) SMN1; SMN2POLBALDH1A1LMNATACR1

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-2074085-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS Lica Pharmaceuticals A/S (DK) 2009-07-01 EP disclosed
WO-2008043840-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2008-04-17 WO disclosed