SCHEMBL2553963

SCHEMBL2553963

O=Cc1c[nH]c(-c2ccc(F)cc2O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.41
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
IDO1 P14902 2/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
DAO P14920 2/20 0.34
NPC1 O15118 1/20 0.34
DDO Q99489 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP6 P55212 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HTR2B P41595 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
SCHEMBL2560428 0.89 IDO1 (0.45) AMY1AERCC1ERCC4IDO1DAO
SCHEMBL30037525 0.86 PIM1 (0.39) AMY1A
SCHEMBL15331629 0.86 PIM1 (0.39) AMY1A
SCHEMBL15331539 0.84 LRRK2 (0.35) IDO1ALDH1A1HTT
SCHEMBL2559069 0.83 NISCH (0.40) AMY1ANPC1ALDH1A1
SCHEMBL15330744 0.81 HTR2B (0.51) IDO1NPC1MEN1KMT2AALDH1A1
SCHEMBL2559174 0.80 AMY1A (0.34) AMY1A
SCHEMBL15333376 0.80 IDO1 (0.39) IDO1NPC1MEN1KMT2AL3MBTL1
SCHEMBL29952752 0.80 IDO1 (0.39) IDO1NPC1MEN1KMT2AL3MBTL1
SCHEMBL15330573 0.80 TRIM24 (0.49) NPC1MEN1KMT2AALDH1A1

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