SCHEMBL19630458

SCHEMBL19630458

C#CCN.C#CCNC(=O)C(F)(F)F.COC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL68609 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL111507 0.70
Hydrochloric Acid SCHEMBL28021257 0.67
Water SCHEMBL27540049 0.67
Methane SCHEMBL16334296 0.67
SCHEMBL28010803 0.67
Ammonia Solution, Strong SCHEMBL6194945 0.67
SCHEMBL27947516 0.66 ACHE (0.31)
Trifluoroacetamide SCHEMBL1007195 0.66 ALDH1A1 (0.32) ALDH1A1
Trifluoroacetic Acid SCHEMBL27947517 0.66 HRH4 (0.33) CA12CA2CA9

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-9828633-B1 Modified nucleotides methods and kits PIERCE BIOTECHNOLOGY, INC. (US) 2017-11-28 US disclosed