SCHEMBL10115080

SCHEMBL10115080

CC(C(=O)OC(C)(C)C)c1ccc(N2Cc3ccc(-c4ccc(C#N)cc4)cc3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAP3K5 Q99683 10/20 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
SCHEMBL10085861 0.92 TP53 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10115089 0.92 TP53 (0.45) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085480 0.89 TP53 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10086379 0.89 TP53 (0.55) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085469 0.88 TP53 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085477 0.87 NPC1 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085474 0.87 TP53 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085790 0.86 TP53 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10132211 0.84 TP53 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10086381 0.84 TP53 (0.45) TP53SMN1; SMN2MEN1LMNACYP2D6

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-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed