SCHEMBL5450468

SCHEMBL5450468

C=CCNC(=S)Nc1cccc(Cl)c1C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
ALDH1A1 P00352 5/20 0.64
LMNA P02545 3/20 0.63
ALOX12 P18054 3/20 0.63
HPGD P15428 2/20 0.63
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALPL P05186 1/20 0.57
ALPI P09923 1/20 0.57

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
SCHEMBL27932760 0.81 LMNA (0.80) HTTALDH1A1LMNAALOX12HPGD
SCHEMBL5463769 0.79 MEN1 (0.64) HTTALDH1A1LMNAALOX12HPGD
SCHEMBL12846489 0.77 ALOX12 (0.75) HTTALDH1A1LMNAALOX12HPGD
SCHEMBL11542645 0.77 LMNA (0.73) HTTALDH1A1LMNAALOX12HPGD
SCHEMBL8912251 0.76 HTT (0.64) HTTALDH1A1LMNAALOX12HPGD
SCHEMBL27876770 0.75 LMNA (1.00) HTTALDH1A1LMNAALOX12HPGD
SCHEMBL26485886 0.74 LMNA (0.76) HTTALDH1A1LMNAALOX12HPGD
SCHEMBL3065751 0.74 KMT2A (1.00) HTTALDH1A1LMNAALOX12KDM4E
SCHEMBL9461868 0.74 POLB (0.51) ALDH1A1LMNAALOX12HPGDMEN1
SCHEMBL28820821 0.74 LMNA (0.70) ALDH1A1LMNAHPGDKDM4EMEN1

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