SCHEMBL29954944

SCHEMBL29954944

Cc1nc(-c2c(F)c(F)c(F)c(F)c2F)ccc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL2562289 0.77
SCHEMBL2560293 0.75 CTSA (0.37)
SCHEMBL2656864 0.74 CA2 (0.31)
SCHEMBL29698271 0.74 CA2 (0.31)
SCHEMBL29952149 0.70 S100A4 (0.32) RAB9A
SCHEMBL489376 0.69 CCR1 (0.40) RAB9A
SCHEMBL30788696 0.69 CCR1 (0.40) RAB9A
SCHEMBL29951491 0.67 CA2 (0.32)
SCHEMBL2558643 0.67 KMO (0.46)
SCHEMBL2559292 0.67 AHR (0.35)

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed