SCHEMBL11249182

SCHEMBL11249182

CCCCON=C(Cn1cncn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
TBXA2R P21731 3/20 0.42
CYP19A1 P11511 5/20 0.40
DRD4 P21917 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 2/20 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
SCHEMBL11229189 0.81 MEN1 (0.47) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL6271957 0.78 SMN1; SMN2 (0.41) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL6271951 0.78 SMN1; SMN2 (0.41) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL11222473 0.78 CYP19A1 (0.49) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL11222475 0.78 CYP19A1 (0.49) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL5421740 0.76 SMN1; SMN2 (0.38) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL5421747 0.76 SMN1; SMN2 (0.38) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL11231750 0.76 CYP19A1 (0.47) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL11248610 0.75 CYP3A4 (0.48) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL15286334 0.74 MAPT (0.44) MAPTMEN1LMNAKMT2ACYP19A1

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
US-4357338-A Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-11-02 US claimed