SCHEMBL15329970

SCHEMBL15329970

CN(C)C=Nc1ncc(C(=O)c2c[nH]c(C=O)c2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HPGD P15428 3/20 0.58
RECQL P46063 1/20 0.58
KDM4E B2RXH2 4/20 0.57
MAPT P10636 3/20 0.57
RXFP1 Q9HBX9 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL10110055 0.77 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL23162497 0.73 ALDH1A1 (0.66) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL5357915 0.73 ALDH1A1 (0.70) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL5357917 0.73 ALDH1A1 (0.70) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL23162498 0.73 ALDH1A1 (0.66) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL23207060 0.73 ALDH1A1 (0.66) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3112087 0.70 ALDH1A1 (0.73) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3112082 0.70 ALDH1A1 (0.73) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3017848 0.69 ALDH1A1 (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3017850 0.69 ALDH1A1 (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2

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-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