SCHEMBL5448347

SCHEMBL5448347

C=CCNC(=S)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
KDM4E B2RXH2 4/20 0.62
LMNA P02545 6/20 0.61
POLB P06746 1/20 0.59
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP19A1 P11511 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL9461871 0.85 LMNA (0.50) GAAKDM4ELMNAPOLBMAPT
SCHEMBL10789222 0.84 LMNA (0.56) GAAKDM4ELMNAMAPTHTT
SCHEMBL2236429 0.84 GAA (0.66) GAAKDM4ELMNAMAPTHTT
SCHEMBL10787178 0.83 MAPT (0.74) GAAKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL8611437 0.82 GAA (0.64) GAAKDM4ELMNAMAPTHTT
SCHEMBL1647857 0.81 ALDH1A1 (0.69) GAAKDM4ELMNAPOLBMAPT
SCHEMBL8956298 0.81 LMNA (0.74) GAAKDM4ELMNAPOLBMAPT
SCHEMBL5456513 0.79 MEN1 (0.58) GAALMNAMAPTSMN1; SMN2NPSR1
SCHEMBL28820821 0.79 LMNA (0.70) GAAKDM4ELMNAPOLBMAPT
SCHEMBL2856729 0.79 GAA (0.59) GAAKDM4ELMNAMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed