SCHEMBL29954850

SCHEMBL29954850

Cc1nc(N)nc(Cl)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 4/20 0.39
KDM4E B2RXH2 6/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.34
ERN1 O75460 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP1A2 P05177 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.31
NUDT1 P36639 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
SCHEMBL8285130 1.00 LMNA (0.47) LMNARAB9ANPSR1KDM4EMAPK1
SCHEMBL9288161 0.86 ALDH1A1 (0.40) LMNARAB9ANPSR1KDM4EMAPK1
SCHEMBL192661 0.84 LMNA (0.55) LMNARAB9ANPSR1KDM4ESMN1; SMN2
SCHEMBL8532660 0.81 KDM4E (0.39) LMNARAB9ANPSR1KDM4EMAPK1
SCHEMBL31627684 0.80 KDM4E (0.37) LMNARAB9ANPSR1KDM4ESMN1; SMN2
SCHEMBL5674047 0.80 KDM4E (0.37) LMNARAB9ANPSR1KDM4ESMN1; SMN2
SCHEMBL9287288 0.79 LMNA (0.38) LMNARAB9ANPSR1KDM4EMAPK1
SCHEMBL6364307 0.77 LMNA (0.50) LMNARAB9ANPSR1KDM4EMAPK1
SCHEMBL12640264 0.77 KDM4E (0.35) LMNANPSR1KDM4ESMN1; SMN2MAPT
SCHEMBL10951849 0.75 LMNA (0.34) LMNANPSR1KDM4EMAPK1HTT

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 1 patent. 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