SCHEMBL5448100

SCHEMBL5448100

CN(C(=S)Nc1ccccc1C(F)(F)F)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
POLQ O75417 1/20 0.45
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7667103 0.73 LMNA (0.62) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL5448095 0.71 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL5694521 0.69 ALDH1A1 (0.75) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL14862128 0.69 NOTUM (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL27548796 0.68 NPC1 (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL9016338 0.68 CA12 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL12835098 0.68 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL9453927 0.68 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL5526949 0.68 ABCC1 (0.63) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL28431651 0.68 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2GAA

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