SCHEMBL15330399

SCHEMBL15330399

Cn1nc(-c2ccc(C(C)(C)C)cc2)c(C=O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KIF11 P52732 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HPGD P15428 3/20 0.33
ALOX15 P16050 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL29954402 0.87 SCN9A (0.41) ALDH1A1KDM4EMAPTKIF11SIGMAR1
SCHEMBL15329462 0.84 PTGS2 (0.45) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL15329712 0.84 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL15331430 0.83 SMN1; SMN2 (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL15332066 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL17290817 0.82 KDM4E (0.40) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2563069 0.82 MAPK14 (0.41) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL15331788 0.82 SMN1; SMN2 (0.47) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL29954023 0.81 CSF1R (0.42) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL15332775 0.80 LMNA (0.40) ALDH1A1KMT2AKDM4EMEN1LMNA

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