SCHEMBL15330438

SCHEMBL15330438

CCc1nn(CCC#N)c(Cl)c1C=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK14 Q16539 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
SCHEMBL15331581 0.89 KDM4E (0.33) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL29955513 0.83 GAA (0.30)
SCHEMBL15332807 0.82 KDM4E (0.39) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL29954847 0.80 MPO (0.31)
SCHEMBL29953734 0.79
SCHEMBL29958133 0.78 LMNA (0.37) KMT2AKDM4EMEN1MAPT
SCHEMBL15329528 0.78 HTR2C (0.30)
SCHEMBL29951549 0.78 ADRA1A (0.40)
SCHEMBL29953014 0.75 KDM4E (0.35) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL15331534 0.74 KDM4E (0.30) KMT2AKDM4EMEN1MAPT

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 4 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-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