SCHEMBL8923732

SCHEMBL8923732

Cc1cc(C(N)=NO)cc(C)c1OCCCc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.43
HRH1 P35367 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 3/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR7 P34969 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8824479 0.81 GAA (0.38) RAB9AGAANPC1CYP3A4CYP2D6
SCHEMBL8992145 0.81 GAA (0.41) CYP1A2RAB9AGAANPC1LMNA
SCHEMBL8921403 0.80 RAB9A (0.40) HRH1SMN1; SMN2RAB9AGAANPC1
SCHEMBL8924199 0.79 SCN8A (0.46) SCN8AHRH1CYP3A4CYP2D6CYP2C9
SCHEMBL8824453 0.79 GAA (0.36) RAB9AGAANPC1LMNATP53
SCHEMBL8824463 0.76 MAPT (0.40) SMN1; SMN2CYP1A2CYP2C19RAB9AGAA
SCHEMBL8558817 0.76 GAA (0.35) RAB9AGAANPC1CYP3A4CYP2D6
SCHEMBL8663366 0.74 SCN8A (0.47) SCN8AHRH1SMN1; SMN2CA12CA1
SCHEMBL9090606 0.73 GAA (0.35) RAB9AGAANPC1CYP3A4CYP2D6
SCHEMBL6981958 0.73 RAB9A (0.35) HRH1SMN1; SMN2RAB9AGAANPC1

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