SCHEMBL11323733

SCHEMBL11323733

CSc1cc(NC(C)=O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 1/20 0.50
ALOX5AP P20292 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL29426352 1.00 PKM (0.51) PKMMEN1MAPTKMT2AALDH1A1
SCHEMBL8780994 0.86 PKM (0.56) PKMMEN1MAPTKMT2AALDH1A1
SCHEMBL11772594 0.81 TDP1 (0.53) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4968258 0.81 HTT (0.46) PKMMEN1MAPTKMT2AALDH1A1
SCHEMBL3192352 0.79 PKM (0.65) PKMMEN1MAPTKMT2AALDH1A1
SCHEMBL4055616 0.78 TDP1 (0.57) PKMMEN1MAPTKMT2AALDH1A1
SCHEMBL28698567 0.78 ACHE (0.47) MEN1MAPTKMT2AALDH1A1CA12
SCHEMBL8920481 0.77 TDP1 (0.53) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL29594647 0.77 TDP1 (0.53) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL2964139 0.77 HDAC1 (0.47) MEN1MAPTKMT2AALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4265909-A Inhibiting platelet aggregation with substituted acetanilides SOUTH CAROLINA, MEDICAL UNIVERSITY OF 1981-05-05 US disclosed
US-4186209-A Substituted acetanilides as medicinals SOUTH CAROLINA, MEDICAL UNIVERSITY OF 1980-01-29 US disclosed