SCHEMBL2554943

SCHEMBL2554943

Cc1ccc2[nH]c(-c3cccc(F)c3F)c(C=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 5/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
THRB P10828 1/20 0.39
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL15331165 0.90 MEN1 (0.46) MEN1KMT2ANPC1POLBCCNB2
SCHEMBL2557154 0.88 ALDH1A1 (0.42) MEN1KMT2ANPC1POLBCCNB2
SCHEMBL2551058 0.87 KDM4E (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2560673 0.85 MEN1 (0.43) MEN1KMT2ANPC1POLBGSK3B
SCHEMBL15330490 0.85 AHR (0.42) MEN1KMT2ANPC1CCNB2CDK1
SCHEMBL2557019 0.84 AHR (0.45) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL2560580 0.84 KDM4E (0.40) KDM4E
SCHEMBL2557244 0.83 ALDH1A1 (0.44) MEN1KMT2ANPC1POLBCCNB2
SCHEMBL15332902 0.82 DHODH (0.37) TNKSTNKS2
SCHEMBL15331784 0.81 MEN1 (0.48) MEN1KMT2ANPC1POLBCCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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