SCHEMBL15330490

SCHEMBL15330490

O=Cc1c(-c2cccc(F)c2F)[nH]c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
GSK3B P49841 1/20 0.39
PTGS2 P35354 6/20 0.39
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PARP14 Q460N5 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNE1 P24864 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
SCHEMBL15329690 0.90 AHR (0.46) AHRKMT2AMEN1ALDH1A1THRB
SCHEMBL2551058 0.87 KDM4E (0.42) ALDH1A1CCNB2CDK1CCNB1CDK5
SCHEMBL15331496 0.85 AHR (0.44) AHRKMT2AMEN1ALDH1A1THRB
SCHEMBL2554943 0.85 MEN1 (0.40) KMT2AMEN1ALDH1A1THRBCCNB2
SCHEMBL15329752 0.82 MEN1 (0.41) AHRKMT2AMEN1ALDH1A1THRB
SCHEMBL2560580 0.81 KDM4E (0.40) KDM4EGAA
SCHEMBL2557019 0.81 AHR (0.45) AHRKMT2AMEN1ALDH1A1CCNB2
SCHEMBL2558384 0.81 PTGS2 (0.53) AHRKMT2AMEN1ALDH1A1CCNB2
SCHEMBL15331867 0.81 PIM1 (0.41) AHRKMT2AMEN1ALDH1A1THRB
SCHEMBL2561274 0.80 ALDH1A1 (0.40) AHRKMT2AMEN1ALDH1A1THRB

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 5 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