SCHEMBL11368195

SCHEMBL11368195

O=C(O)CCn1cnnc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 3/20 0.57
MAPK1 P28482 1/20 0.42
TBXAS1 P24557 3/20 0.41
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
MAPT P10636 1/20 0.35
QPCT Q16769 1/20 0.35

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
SCHEMBL2001103 0.73 EGLN3 (1.00) EGLN3TBXAS1ALDH1A1
Water SCHEMBL27758383 0.72 EGLN3 (0.96) EGLN3TBXAS1ALDH1A1
SCHEMBL5982009 0.72 EGLN3 (0.48) EGLN3MAPK1TBXAS1LMNAALKBH5
Hydrochloric Acid SCHEMBL17337465 0.72 EGLN3 (0.96) EGLN3TBXAS1ALDH1A1
SCHEMBL2000946 0.69 ALDH1A1 (0.60) EGLN3MAPK1LMNAALDH1A1MAPT
SCHEMBL11196216 0.65 PLAA (0.44) ALDH1A1QPCT
SCHEMBL28396604 0.65
SCHEMBL29993479 0.65 MAPK1 (0.47) EGLN3MAPK1TBXAS1LMNAALKBH5
Succinic Acid SCHEMBL4739951 0.61 LMNA (0.82) MAPK1LMNAALKBH5SUCNR1EGLN1
SCHEMBL25464773 0.61 TBXAS1 (0.31) TBXAS1

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 6 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
US-4271308-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-06-02 US disclosed