SCHEMBL11035904

SCHEMBL11035904

CC(C)(C(=O)OCc1ccccc1)C(Sc1nc2ccccc2[nH]1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
AR P10275 2/20 0.43
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TXN P10599 1/20 0.41
GRIN2B Q13224 1/20 0.41
MEN1 O00255 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
SCHEMBL9811086 0.77 POLB (0.53) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL10758492 0.77 SMN1; SMN2 (0.57) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL9304496 0.76 SMN1; SMN2 (0.65) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL10641076 0.74 SMN1; SMN2 (0.51) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL11121930 0.71 SMN1; SMN2 (0.73) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL11108446 0.70 SMN1; SMN2 (0.64) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL29888697 0.69 SMN1; SMN2 (0.71) SMN1; SMN2KMT2APOLBRAB9ALMNA
SCHEMBL10866421 0.69 SMN1; SMN2 (0.59) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL11019032 0.69 SMN1; SMN2 (0.66) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL10761415 0.69 KMT2A (0.46) SMN1; SMN2KMT2APOLBNPC1RAB9A

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