SCHEMBL29651283

SCHEMBL29651283

O=C(NO)C1CN(c2nc(Cl)ncc2Cl)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.38
HDAC4 P56524 5/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
HCRTR1 O43613 1/20 0.36
RPS6KA5 O75582 2/20 0.34
RPS6KA4 O75676 1/20 0.34
ADAM17 P78536 1/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
P2RX7 Q99572 2/20 0.33
ROCK1 Q13464 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MKNK1 Q9BUB5 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL29651281 1.00 HCRTR2 (0.38) HCRTR2HDAC4HDAC7HDAC5HCRTR1
SCHEMBL29650996 0.87 HCRTR2 (0.40) HCRTR2HCRTR1RPS6KA5RPS6KA4ABL1
SCHEMBL28743609 0.87 HCRTR2 (0.40) HCRTR2HCRTR1RPS6KA5RPS6KA4ABL1
SCHEMBL29650901 0.87 HCRTR2 (0.38) HCRTR2HCRTR1RPS6KA5RPS6KA4ABL1
SCHEMBL28744131 0.86 HCRTR2 (0.39) HCRTR2HCRTR1RPS6KA5RPS6KA4ABL1
SCHEMBL29651173 0.86 HCRTR2 (0.39) HCRTR2HCRTR1RPS6KA5RPS6KA4ABL1
SCHEMBL31378032 0.85 HCRTR2 (0.39) HCRTR2HCRTR1RPS6KA5RPS6KA4ROCK1
SCHEMBL28743599 0.85 HCRTR2 (0.39) HCRTR2HCRTR1RPS6KA5RPS6KA4ROCK1
SCHEMBL29651278 0.74 RPS6KA5 (0.37) HCRTR2HCRTR1RPS6KA5RPS6KA4ROCK1
SCHEMBL28744003 0.74 RPS6KA5 (0.37) HCRTR2HCRTR1RPS6KA5RPS6KA4ROCK1

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-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed