SCHEMBL9784875

SCHEMBL9784875

CCCNC(=O)c1ccc2c(c1)N(C(C)CN1CCCCCC1)c1ccccc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
BCHE P06276 3/20 0.44
ACHE P22303 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 3/20 0.43
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
POLB P06746 1/20 0.42
MITF O75030 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DRD2 P14416 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
Apadoline SCHEMBL31300302 0.99 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2BCHE
Apadoline SCHEMBL635109 0.99 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2BCHE
Apadoline SCHEMBL7518667 0.99 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2BCHE
Apadoline SCHEMBL29878314 0.99 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2BCHE
Apadoline SCHEMBL9332140 0.98 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2BCHE
SCHEMBL9501761 0.94 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2BCHE
SCHEMBL9784910 0.94 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784859 0.93 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784902 0.92 SMN1; SMN2 (0.46) KMT2AMEN1LMNASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784906 0.92 SMN1; SMN2 (0.46) KMT2AMEN1LMNASMN1; SMN2BCHE

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-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed