SCHEMBL2556978

SCHEMBL2556978

O=Cc1c[nH]c(-c2cc(Br)ccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.40
CYP2A6 P11509 2/20 0.36
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PTGES O14684 1/20 0.32
NMUR2 Q9GZQ4 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
S100A4 P26447 2/20 0.32
PIM3 Q86V86 2/20 0.31
ERN1 O75460 1/20 0.31
PIM1 P11309 1/20 0.31
NPC1 O15118 1/20 0.30
HTT P42858 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
SCHEMBL15330795 0.90 CYP2A6 (0.36) AMY1ACYP2A6PTGESNMUR2S100A4
SCHEMBL15331539 0.86 LRRK2 (0.35) SMN1; SMN2MAPTPIM3PIM1HTT
SCHEMBL15331999 0.84 IDO1 (0.44) CYP2A6SMN1; SMN2MEN1MAPTHPGD
SCHEMBL15330457 0.82 NISCH (0.40) CYP2A6SMN1; SMN2MEN1MAPTHPGD
SCHEMBL15332234 0.80 AMY1A (0.49) AMY1ASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL3699501 0.80 DCUN1D1 (0.44) NPC1
SCHEMBL2559174 0.79 AMY1A (0.34) AMY1ACYP2A6
SCHEMBL2550228 0.78 GRK6 (0.44) AMY1AMAPTERN1NPC1
SCHEMBL30037525 0.78 PIM1 (0.39) AMY1APIM3PIM1
SCHEMBL15331629 0.78 PIM1 (0.39) AMY1APIM3PIM1

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