SCHEMBL19856953

SCHEMBL19856953

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.38
DRD2 P14416 1/20 0.37
BCAT1 P54687 1/20 0.37
CYP51A1 Q16850 1/20 0.36
PLD1 Q13393 1/20 0.36
CCKBR P32239 1/20 0.36
MMP2 P08253 1/20 0.36
MMP14 P50281 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PYGL P06737 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL1550135 1.00 STAT6 (0.38) STAT6DRD2BCAT1CYP51A1PLD1
SCHEMBL1550213 0.88 DRD2 (0.42) STAT6DRD2CYP51A1PLD1PYGL
SCHEMBL8002722 0.85 STAT6 (0.35) STAT6DRD2BCAT1CYP51A1CCKBR
SCHEMBL1931683 0.84 DRD2 (0.47) STAT6DRD2CYP51A1ALDH1A1PYGL
SCHEMBL1931303 0.84 DRD2 (0.47) STAT6DRD2CYP51A1ALDH1A1PYGL
SCHEMBL1931738 0.84 DRD2 (0.47) STAT6DRD2CYP51A1ALDH1A1PYGL
SCHEMBL14964347 0.84 DRD2 (0.47) STAT6DRD2CYP51A1CCKBRALDH1A1
SCHEMBL19856894 0.83 DRD2 (0.45) STAT6DRD2CYP51A1CCKBRLMNA
SCHEMBL19856892 0.83 DRD2 (0.45) STAT6DRD2CYP51A1CCKBRLMNA
SCHEMBL19856918 0.81 STAT6 (0.39) STAT6DRD2CYP51A1PLD1CCKBR

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