SCHEMBL7510072

SCHEMBL7510072

CC(=O)OCNC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.42
CA3 P07451 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA2 P00918 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FAAH O00519 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7511058 0.80 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2CA2CA14
SCHEMBL13464422 0.79 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL27398724 0.78 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL10641143 0.77
SCHEMBL4243347 0.74
SCHEMBL10619125 0.72
SCHEMBL19509599 0.71 SMN1; SMN2 (0.44) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9138159 0.70 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL10784226 0.70 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL1387208 0.69

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-0530515-B1 Process for the preparation of N-halomethylpyrrole and intermediates BASF AG (DE) 2002-11-06 EP disclosed
EP-0530515-A1 N-Alkanoylaminomethyl and N-Aroylaminomethyl pyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed
US-5130328-A Lima bean leaves AMERICAN CYANAMID COMPANY (US) 1992-07-14 US disclosed