SCHEMBL11229189

SCHEMBL11229189

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A4 P31645 2/20 0.46
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ESR1 P03372 1/20 0.37
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL11379512 0.82 LMNA (0.55) MEN1ALDH1A1KMT2ASLC6A4MAPT
SCHEMBL11228468 0.82 LMNA (0.55) MEN1ALDH1A1KMT2ASLC6A4MAPT
SCHEMBL11249182 0.81 MAPT (0.49) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11225151 0.81 MAPT (0.42) MEN1ALDH1A1KMT2ASLC6A4MAPT
SCHEMBL11230130 0.79 CYP3A4 (0.50) MEN1ALDH1A1KMT2ASLC6A4MAPT
SCHEMBL11227170 0.79 MEN1 (0.45) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11227184 0.79 MEN1 (0.45) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11235612 0.74 MAPT (0.45) MEN1ALDH1A1KMT2ASLC6A4MAPT
SCHEMBL15286334 0.73 MAPT (0.44) MEN1KMT2ASLC6A4MAPTHTT
SCHEMBL15286330 0.73 MAPT (0.44) MEN1KMT2ASLC6A4MAPTHTT

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