SCHEMBL5458024

SCHEMBL5458024

O=C1CCCN1CCNC(=S)Nc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
MAPT P10636 3/20 0.78
GAA P10253 3/20 0.78
TDP1 Q9NUW8 1/20 0.78
TSHR P16473 2/20 0.74
HTT P42858 1/20 0.57
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NAMPT P43490 1/20 0.53
USP2 O75604 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL9963505 0.78 ALDH1A1 (0.52) ALDH1A1MAPTGAATDP1TSHR
SCHEMBL1402561 0.78 TSHR (0.69) ALDH1A1GAATSHRKMT2ASMN1; SMN2
SCHEMBL11124295 0.76 HTT (0.74) ALDH1A1MAPTGAATDP1TSHR
SCHEMBL14433881 0.74 KMT2A (0.72) ALDH1A1MAPTGAATDP1KMT2A
SCHEMBL12336937 0.74 TSHR (0.59) ALDH1A1MAPTGAATDP1TSHR
SCHEMBL8956279 0.74 KMT2A (0.78) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL28877334 0.73 TSHR (0.62) ALDH1A1TSHRKMT2ASMN1; SMN2LMNA
SCHEMBL11470310 0.73 KMT2A (0.81) TSHRKMT2ASMN1; SMN2MEN1NAMPT
SCHEMBL5929386 0.73 MALT1 (0.64) ALDH1A1MAPTGAATDP1TSHR
SCHEMBL11391291 0.73 HTT (1.00) ALDH1A1MAPTGAATSHRHTT

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