SCHEMBL11225151

SCHEMBL11225151

C=CCON=C(Cn1cncn1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
CYP19A1 P11511 4/20 0.37
SLC6A4 P31645 1/20 0.35
POLB P06746 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
SCHEMBL11386202 0.87 HTT (0.53) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL11237883 0.87 HTT (0.53) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL11240865 0.83 MAPT (0.40) MAPTHTTLMNAPKMCYP19A1
SCHEMBL11388927 0.83 MAPT (0.40) MAPTHTTLMNAPKMCYP19A1
SCHEMBL11223080 0.83 HTT (0.48) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL11229189 0.81 MEN1 (0.47) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL11232119 0.81 LMNA (0.56) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL11385996 0.81 LMNA (0.56) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL11230130 0.80 CYP3A4 (0.50) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL11227170 0.80 MEN1 (0.45) MAPTHTTMEN1ALDH1A1KMT2A

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 3 patents. 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 disclosed
US-4309434-A Combating fungi with 1-(2-chlorophenyl)-1-(2-chlorobenzyloximino)-2-(1,2,4-triazol-1-yl)-ethane BAYER AKTIENGESELLSCHAFT (DE) 1982-01-05 US disclosed
US-4264772-A Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed