SCHEMBL11019178

SCHEMBL11019178

CC(C)(C(=O)O)C(Sc1nc2ccccc2[nH]1)C(CC(=O)O)Sc1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 6/20 0.53
POLB P06746 3/20 0.48
MEN1 O00255 3/20 0.44
HCRTR1 O43613 1/20 0.44
MAPT P10636 1/20 0.44
TXN P10599 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
NR4A1 P22736 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL10764336 0.85 KMT2A (0.67) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL9304496 0.78 SMN1; SMN2 (0.65) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL10894311 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KMT2APOLBMEN1LMNA
SCHEMBL9304705 0.78 KMT2A (0.67) SMN1; SMN2KMT2APOLBMAPTLMNA
SCHEMBL757400 0.76 KMT2A (0.67) SMN1; SMN2KMT2APOLBMAPTLMNA
SCHEMBL9308094 0.75 SMN1; SMN2 (0.57) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL10641547 0.74 KMT2A (0.62) SMN1; SMN2KMT2APOLBMAPTLMNA
SCHEMBL10639826 0.73 SMN1; SMN2 (0.58) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL11019180 0.73 SMN1; SMN2 (0.58) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL11121930 0.73 SMN1; SMN2 (0.73) SMN1; SMN2KMT2APOLBMEN1MAPT

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
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed