SCHEMBL2558320

SCHEMBL2558320

CC(C)c1nn(-c2cccc(Br)c2)c(Cl)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.37
CYP26A1 O43174 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 2/20 0.35
RPA1 P27694 1/20 0.34
MGLL Q99685 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 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
SCHEMBL15332195 0.90 NPBWR1 (0.34) NPBWR1CYP26A1KMT2AMEN1POLB
SCHEMBL15330699 0.88 KMT2A (0.45) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2553728 0.86 NPBWR1 (0.42) NPBWR1KMT2AMEN1POLBALDH1A1
SCHEMBL15330943 0.85 DHODH (0.41) KMT2AMEN1POLBMAPTLMNA
SCHEMBL15330526 0.84 PPARA (0.40) NPBWR1KMT2AMEN1POLBALDH1A1
SCHEMBL29956884 0.84 SMN1; SMN2 (0.47) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL15329611 0.83 MAPT (0.48) CYP26A1KMT2AMEN1POLBALDH1A1
SCHEMBL2559402 0.82 ALDH1A1 (0.39) NPBWR1CYP26A1KMT2AMEN1POLB
SCHEMBL29957442 0.81 PIK3CD (0.40) NPBWR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2555032 0.80 GAA (0.40) NPBWR1ALDH1A1MAPTLMNARPA1

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