SCHEMBL21154518

SCHEMBL21154518

C/C=C(C)\C(=C/C)C1=C(C)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC1 Q13547 1/20 0.35
NR1H2 P55055 4/20 0.34
ESR2 Q92731 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL12435367 0.79 USP2 (0.42) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL13801225 0.78 USP2 (0.50) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL19080544 0.76 NR1H2 (0.47) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL24535479 0.70 USP2 (0.36) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL16224510 0.70 USP2 (0.43) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL12435353 0.70 NR1H2 (0.44) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL18571170 0.70 USP2 (0.40) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL1488405 0.70 USP2 (0.46) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL14719429 0.69 USP2 (0.42) USP2SMN1; SMN2MAPK1HDAC1NR1H2
SCHEMBL13801202 0.69 USP2 (0.39) USP2SMN1; SMN2MAPK1HDAC1NR1H2

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
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed