SCHEMBL2558012

SCHEMBL2558012

O=Cc1cc(F)c(N2CCNC(=O)C2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 1/20 0.35
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SCN9A Q15858 1/20 0.32
PKM P14618 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
RAB9A P51151 1/20 0.31
GRIA1 P42261 2/20 0.31
ALDH1A3 P47895 1/20 0.30
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30
HSP90AA1 P07900 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL15330735 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2JAK2TYK2
SCHEMBL2560082 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2AOC3PRKCHPRKCE
SCHEMBL4944470 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15330666 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4ERAB9AALDH1A3
SCHEMBL23235276 0.73 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EALDH1A3HSP90AA1
SCHEMBL2558495 0.73 TRIM24 (0.53) ALDH1A1SMN1; SMN2PRKCHPRKCEKDM4E
SCHEMBL2557448 0.72 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PRKCHPRKCERAB9A
SCHEMBL18876516 0.72 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EALDH1A3HSP90AA1
SCHEMBL24196347 0.70 MAPT (0.40) AOC3PRKCHPRKCEPKMALOX5AP
SCHEMBL2556181 0.70 HSD11B1 (0.40) ALDH1A1SMN1; SMN2AOC3PRKCHPRKCE

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed