SCHEMBL19856952

SCHEMBL19856952

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.39
NOD2 Q9HC29 4/20 0.38
NOD1 Q9Y239 4/20 0.38
CCR2 P41597 1/20 0.38
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
BCL2 P10415 1/20 0.34
BID P55957 1/20 0.34

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
SCHEMBL19856960 0.86 PLA2G10 (0.38) NOD2NOD1CCR2MCL1
SCHEMBL19856991 0.83 SLC6A7 (0.37) LMNANOD2NOD1
SCHEMBL19856988 0.83 NOD2 (0.41) ALDH1A1LMNAMAPTNOD2NOD1
SCHEMBL19856992 0.81 CCR2 (0.34) ALDH1A1CCR2
SCHEMBL19856905 0.81 BTK (0.38) NOD2NOD1MCL1
SCHEMBL19856929 0.80 CCR2 (0.35) LMNACCR2
SCHEMBL19856981 0.80 SIRT3 (0.38) ALDH1A1LMNANOD2NOD1CA12
SCHEMBL19856907 0.80 HCRTR1 (0.33) NOD2NOD1
SCHEMBL19856935 0.79 PARP10 (0.40)
SCHEMBL19856933 0.79 HPGD (0.36) ALDH1A1NOD2NOD1CCR2

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-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed