SCHEMBL11238684

SCHEMBL11238684

C=CCON=C(Cn1cncn1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP13 P45452 1/20 0.37
SRD5A2 P31213 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP19A1 P11511 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 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
SCHEMBL11381248 0.86 CYP19A1 (0.44) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11229979 0.86 CYP19A1 (0.44) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11223080 0.85 HTT (0.48) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL11231619 0.85 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2MAPTHTTCYP19A1
SCHEMBL11231210 0.84 KDM4E (0.43) KDM4EL3MBTL1TDP1MMP13SRD5A2
SCHEMBL11386202 0.79 HTT (0.53) KDM4EMEN1KMT2APOLBPKM
SCHEMBL11240865 0.79 MAPT (0.40) SMN1; SMN2PKMMAPTHTTCYP19A1
SCHEMBL11388927 0.79 MAPT (0.40) SMN1; SMN2PKMMAPTHTTCYP19A1
SCHEMBL11237883 0.79 HTT (0.53) KDM4EMEN1KMT2APOLBPKM
SCHEMBL11234420 0.77 L3MBTL1 (0.47) KDM4EL3MBTL1TDP1SMN1; SMN2POLB

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