SCHEMBL2557712

SCHEMBL2557712

COCc1nn(-c2cc(C)ccn2)c(Cl)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
KDM5A P29375 7/20 0.34
KDM5B Q9UGL1 7/20 0.34
KDM4C Q9H3R0 6/20 0.34
KDM4A O75164 4/20 0.34
KDM2B Q8NHM5 4/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
OXTR P30559 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL15331056 0.86 ALDH1A1 (0.42) ALDH1A1LMNAKDM5AKDM5BKDM4C
SCHEMBL15332257 0.84 ALDH1A1 (0.40) ALDH1A1LMNAKDM5AKDM5BKDM4C
SCHEMBL15332785 0.83 MAPT (0.37) ALDH1A1MAPTOXTRNPC1RAB9A
SCHEMBL15330965 0.82
SCHEMBL15329713 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMAPTNPSR1OXTR
SCHEMBL2559955 0.80 NPBWR1 (0.38) ALDH1A1LMNAMAPTNPSR1SMN1; SMN2
SCHEMBL2554043 0.80 NPBWR1 (0.38) ALDH1A1LMNAMAPTNPSR1PKM
SCHEMBL2559829 0.80 NPBWR1 (0.45) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL2560783 0.79 GAA (0.44) ALDH1A1LMNAMAPTNPSR1NPC1
SCHEMBL2562172 0.79 GAA (0.35) ALDH1A1LMNAMAPTNPSR1NPC1

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