SCHEMBL11240865

SCHEMBL11240865

C=CCON=C(Cn1cncn1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 5/20 0.39
DRD4 P21917 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 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
SCHEMBL11388927 1.00 MAPT (0.40) MAPTHTTCYP19A1DRD4HDAC1
SCHEMBL11231619 0.94 SMN1; SMN2 (0.39) MAPTHTTCYP19A1DRD4SMN1; SMN2
SCHEMBL11237883 0.88 HTT (0.53) MAPTHTTCYP19A1LMNAPKM
SCHEMBL11386202 0.88 HTT (0.53) MAPTHTTCYP19A1LMNAPKM
SCHEMBL15286334 0.86 MAPT (0.44) MAPTHTTCYP19A1HDAC1HDAC6
SCHEMBL15286330 0.86 MAPT (0.44) MAPTHTTCYP19A1HDAC1HDAC6
SCHEMBL11381248 0.84 CYP19A1 (0.44) MAPTHTTCYP19A1DRD4SMN1; SMN2
SCHEMBL11229979 0.84 CYP19A1 (0.44) MAPTHTTCYP19A1DRD4SMN1; SMN2
SCHEMBL11223080 0.83 HTT (0.48) MAPTHTTCYP19A1SMN1; SMN2LMNA
SCHEMBL11225151 0.83 MAPT (0.42) MAPTHTTCYP19A1LMNAPKM

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