SCHEMBL19856973

SCHEMBL19856973

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Oc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.42
CYP51A1 Q16850 1/20 0.38
FLT3 P36888 1/20 0.38
ELANE P08246 4/20 0.37
DRD2 P14416 1/20 0.37
TRPC6 Q9Y210 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
HTRA1 Q92743 1/20 0.36
XDH P47989 1/20 0.35
BTK Q06187 1/20 0.35
KDM5A P29375 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1549687 1.00 STAT6 (0.42) STAT6CYP51A1FLT3ELANEDRD2
SCHEMBL19856861 0.89 STAT6 (0.45) STAT6CYP51A1FLT3ELANEDRD2
SCHEMBL19856863 0.89 STAT6 (0.45) STAT6CYP51A1FLT3ELANEDRD2
SCHEMBL19856859 0.89 CYP51A1 (0.40) STAT6CYP51A1DRD2HRH4HTRA1
SCHEMBL1549976 0.89 CYP51A1 (0.40) STAT6CYP51A1DRD2HRH4HTRA1
SCHEMBL1550050 0.89 CYP51A1 (0.40) STAT6CYP51A1DRD2HRH4HTRA1
SCHEMBL1550540 0.88 DRD2 (0.40) STAT6CYP51A1DRD2HRH4HTRA1
SCHEMBL1930560 0.88 DRD2 (0.41) STAT6CYP51A1ELANEDRD2HRH4
SCHEMBL19856970 0.88 DRD2 (0.41) STAT6CYP51A1ELANEDRD2HRH4
SCHEMBL1550472 0.87 KDM5A (0.40) STAT6CYP51A1DRD2HRH4HTRA1

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