SCHEMBL19856965

SCHEMBL19856965

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
HTRA1 Q92743 1/20 0.36
STAT6 P42226 1/20 0.36
CYP51A1 Q16850 5/20 0.34
F2 P00734 2/20 0.34
F9 P00740 2/20 0.34
F10 P00742 2/20 0.34
F12 P00748 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
F7 P08709 2/20 0.34
PRSS3 P35030 2/20 0.34
PYGL P06737 2/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BCAT1 P54687 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4335350 1.00 TDP1 (0.36) TDP1HTRA1STAT6CYP51A1F2
SCHEMBL19856915 1.00 TDP1 (0.36) TDP1HTRA1STAT6CYP51A1F2
SCHEMBL4343721 1.00 TDP1 (0.36) TDP1HTRA1STAT6CYP51A1F2
SCHEMBL4350449 0.95 HTRA1 (0.36) TDP1HTRA1STAT6CYP51A1F2
SCHEMBL4341332 0.95 HTRA1 (0.36) TDP1HTRA1STAT6CYP51A1F2
SCHEMBL4343831 0.91 STAT6 (0.39) HTRA1STAT6CYP51A1F2F10
SCHEMBL4338819 0.90 STAT6 (0.40) HTRA1STAT6CYP51A1PYGLKMT2A
SCHEMBL19856939 0.89 CYP51A1 (0.38) HTRA1STAT6CYP51A1PYGLBCAT1
SCHEMBL19856944 0.89 CYP51A1 (0.38) HTRA1STAT6CYP51A1PYGLBCAT1
SCHEMBL8002978 0.87 TDP1 (0.35) TDP1HTRA1STAT6CYP51A1F2

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