SCHEMBL15332012

SCHEMBL15332012

CN(C)c1cccc(-c2nnc(SCC(=O)O)[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRK6 P43250 9/20 0.43
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.41
TYMP P19971 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18552261 0.90 GRK6 (0.43) ALDH1A1TDP1GRK6KDM4EFFAR1
SCHEMBL21764082 0.86 GRK6 (0.37) ALDH1A1TDP1GRK6KDM4EFFAR1
SCHEMBL17213015 0.86 GRK6 (0.46) ALDH1A1TDP1GRK6FFAR1KMT2A
SCHEMBL14907846 0.85 MAPT (0.48) ALDH1A1TDP1GRK6KDM4EFFAR1
SCHEMBL6405045 0.84 GRK6 (0.60) ALDH1A1TDP1GRK6KDM4EKMT2A
SCHEMBL21763898 0.81 STK17B (0.48) ALDH1A1TDP1GRK6KDM4EFFAR1
SCHEMBL14907821 0.81 GRK6 (0.62) ALDH1A1TDP1GRK6KDM4EKMT2A
SCHEMBL14907851 0.81 GRK6 (0.60) ALDH1A1TDP1GRK6KDM4EKMT2A
SCHEMBL14907836 0.81 APEX1 (0.51) ALDH1A1TDP1GRK6KDM4EKMT2A
SCHEMBL16171157 0.81 GRK6 (0.50) ALDH1A1TDP1GRK6KDM4EKMT2A

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