SCHEMBL2554581

SCHEMBL2554581

C[C@@H](N)c1cc(C=O)ccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.35
ALDH1A1 P00352 5/20 0.32
ALDH1A3 P47895 1/20 0.32
TSHR P16473 1/20 0.32
CYP2A6 P11509 1/20 0.32
FDPS P14324 1/20 0.32
UNG P13051 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
AKT1 P31749 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
SCHEMBL2560561 1.00 TYR (0.35) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL2554013 0.86 TYR (0.33) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL15329686 0.86 TYR (0.33) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL7427768 0.85 TYR (0.42) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL841444 0.81 TYR (0.35) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL15329693 0.81 ALDH1A1 (0.35) ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL29955410 0.81 UNG (0.36) ALDH1A1UNGKDM4EPTGS2RAB9A
SCHEMBL2560556 0.81 ALDH1A1 (0.35) ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL29956705 0.81 UNG (0.36) ALDH1A1UNGKDM4EPTGS2RAB9A
SCHEMBL15332272 0.79 FDPS (0.30) FDPS

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