SCHEMBL9368232

SCHEMBL9368232

O=C(NCCCC#Cc1cn([C@@H]2CC[C@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.36
ADRA1A P35348 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ALB P02768 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL9368222 1.00 LMNA (0.36) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL9372482 0.97 LMNA (0.35) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL9372470 0.97 LMNA (0.35) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL2284109 0.95 LMNA (0.37) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL8476367 0.89 LMNA (0.38) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL8476369 0.89 LMNA (0.38) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL24922883 0.87 LMNA (0.34) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL9370017 0.82 TK1 (0.41) LMNASMN1; SMN2ALDH1A1ALBMAPK1
SCHEMBL9369069 0.82 TK1 (0.41) LMNASMN1; SMN2ALDH1A1ALBMAPK1
SCHEMBL6815935 0.82 LMNA (0.36) LMNASMN1; SMN2ALOX12ADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251786-B1 Alkynylamino-nucleotides DU PONT (US) 1994-11-30 EP disclosed
US-5151507-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-29 US disclosed
US-5047519-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-10 US disclosed