SCHEMBL3209459

SCHEMBL3209459

FC(F)(F)C(F)(C(F)(F)F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10409113 0.89 MEN1 (0.40) MEN1KMT2ATDP1
SCHEMBL27397491 0.87
SCHEMBL3151340 0.85 MEN1 (0.47) MEN1KMT2ATDP1
SCHEMBL555524 0.79 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL1280066 0.79 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL6885374 0.79 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL297814 0.79 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL149623 0.79 MEN1 (0.33) MEN1KMT2ATDP1
Perfluorocyclobutane SCHEMBL10391737 0.79 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL10538153 0.78 MEN1 (0.35) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2198869-B1 TREHALOSE FOR THE TREATMENT OR PREVENTION OF VASOSPASM NEXT 21 K K (JP) 2015-09-16 EP disclosed
US-8283337-B2 Therapeutic or prophylactic agent for vasoconstriction NEXT21 K.K. (JP) 2012-10-09 US disclosed
EP-2198869-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR VASOCONSTRICTION Next 21 K.K. (JP) 2010-06-23 EP disclosed
US-20100035837-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR VASOCONSTRICTION NEXT21 K.K. (JP) 2010-02-11 US disclosed