SCHEMBL9775183

SCHEMBL9775183

NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.79
LMNA P02545 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
MAPK3 P27361 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
SQOR Q9Y6N5 1/20 0.79

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
Hydrochloric Acid SCHEMBL11262305 0.99 ASAH1 (0.77) ASAH1LMNACYP3A4CYP2D6MAPK3
Hydrochloric Acid SCHEMBL11253098 0.93 LMNA (0.72) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11601957 0.88 ASAH1 (1.00) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11602950 0.88 ASAH1 (1.00) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL10933495 0.88 ASAH1 (1.00) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11665159 0.88 ASAH1 (1.00) ASAH1LMNACYP3A4CYP2D6MAPK3
Carmofur SCHEMBL8037 0.88 ASAH1 (1.00) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL29001286 0.87 ASAH1 (0.75) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11603162 0.86 ASAH1 (0.97) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL10479235 0.86 ASAH1 (0.77) ASAH1LMNACYP3A4CYP2D6MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US disclosed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP disclosed