SCHEMBL8924199

SCHEMBL8924199

Cc1cc(C(N)=NO)cc(C)c1OCCCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.46
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH1 P35367 2/20 0.41
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 3/20 0.40
PTAFR P25105 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TBXAS1 P24557 4/20 0.39
F2 P00734 1/20 0.38
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL8921403 0.85 RAB9A (0.40) L3MBTL1HRH1KMT2ACYP3A4CYP2D6
SCHEMBL7294953 0.81 GAA (0.56) CYP2A6TDP1L3MBTL1HRH1KMT2A
SCHEMBL8923732 0.79 SCN8A (0.43) SCN8AHRH1CYP3A4CYP2D6CYP2C9
SCHEMBL8923501 0.76 SCN8A (0.49) SCN8ACYP2A6TDP1L3MBTL1HRH1
SCHEMBL9089532 0.75 PARP15 (0.36) L3MBTL1KMT2A
SCHEMBL8924193 0.75 SCN8A (0.39) SCN8ACYP2A6TDP1L3MBTL1HRH1
SCHEMBL8925846 0.75 SCN8A (0.39) SCN8ACYP2A6TDP1L3MBTL1HRH1
SCHEMBL8824453 0.74 GAA (0.36) L3MBTL1KMT2A
SCHEMBL8824463 0.74 MAPT (0.40) TDP1L3MBTL1KMT2ACYP3A4CYP2C9
SCHEMBL8558817 0.74 GAA (0.35) L3MBTL1KMT2ACYP3A4CYP2D6F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed