SCHEMBL2554778

SCHEMBL2554778

NC(=O)c1cccnc1N1CCCCC1C=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK2 O75116 2/20 0.41
PARP1 P09874 8/20 0.40
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 1/20 0.38
OPRK1 P41145 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GCK P35557 1/20 0.37
NPC1 O15118 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
SCHEMBL28715492 0.78 GFER (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2560551 0.75 KMT2A (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL883905 0.75 KMT2A (0.58) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2557692 0.74 KMT2A (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL28189129 0.74 KMT2A (0.60) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2557782 0.73 NR3C2 (0.39) GFEROPRK1
SCHEMBL2555414 0.69 SMN1; SMN2 (0.43) PARP1KDM4ESMN1; SMN2NPC1
SCHEMBL15331320 0.69 POLB (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3104049 0.69 NEK2 (0.59) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL29421198 0.69 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2C9

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