SCHEMBL11227170

SCHEMBL11227170

O/N=C(\Cn1cncn1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 6/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL11227184 1.00 MEN1 (0.45) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11235164 0.84 HTT (0.56) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11235165 0.84 HTT (0.56) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11229076 0.81 HTT (0.53) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL3640866 0.80 MAPT (0.49) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11237921 0.80 LMNA (0.45) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11237922 0.80 LMNA (0.45) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL11600300 0.80 LMNA (0.55) ALDH1A1MAPTHTTCYP19A1LMNA
SCHEMBL11600295 0.80 LMNA (0.55) ALDH1A1MAPTHTTCYP19A1LMNA
SCHEMBL11225151 0.80 MAPT (0.42) MEN1ALDH1A1KMT2AMAPTHTT

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 5 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
EP-0004917-B1 OXIMINO-TRIAZOLYL ETHANES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-05-13 EP 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
EP-0004917-A1 Oximino-triazolyl ethanes, process for their preparation and their use as fungicides BAYER AG (DE) 1979-10-31 EP disclosed