SCHEMBL9725344

SCHEMBL9725344

CC(C)(O)C#Cc1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
SLC22A12 Q96S37 2/20 0.48
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 3/20 0.42
RECQL P46063 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSR P00390 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38

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
SCHEMBL8548657 0.77 MAPK1 (0.53) MAPK1HTTSLC22A12TSHRRECQL
SCHEMBL30523605 0.73 MAPK1 (0.56) MAPK1HTTSLC22A12TSHRRECQL
SCHEMBL27420056 0.73 MAPK1 (0.56) MAPK1HTTSLC22A12TSHRRECQL
SCHEMBL12026134 0.70 MAPK1 (0.61) MAPK1HTTSLC22A12NPSR1POLB
SCHEMBL540947 0.68 MAPK1 (1.00) MAPK1HTTPOLBTSHRRECQL
SCHEMBL9090502 0.68 TNIK (0.40) ALDH1A1TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL13053067 0.68 MAPK1 (0.61) MAPK1HTTSLC22A12TSHRRECQL
SCHEMBL12252055 0.68 MAPK1 (0.61) MAPK1HTTSLC22A12NPSR1TSHR
SCHEMBL13319141 0.67 MEN1 (0.58) MAPK1HTTSLC22A12NPSR1POLB
SCHEMBL24285378 0.66 MAPK1 (0.47) MAPK1HTTSLC22A12NPSR1POLB

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-5081256-A Para ordered aromatic diacids containing benzimidazole groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-01-14 US disclosed