SCHEMBL369291

SCHEMBL369291

O=C(O)Oc1cc(-c2cccnc2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.49
SCD5 Q86SK9 2/20 0.49
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.43
KMO O15229 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
RET P07949 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL369290 0.79 ALDH1A1 (0.70) SCDSCD5RAB9ASMN1; SMN2KMT2A
SCHEMBL31039788 0.79 ALDH1A1 (0.70) SCDSCD5RAB9ASMN1; SMN2KMT2A
SCHEMBL370075 0.75 CYP2A6 (0.51) RAB9ASMN1; SMN2KMT2APOLBKMO
SCHEMBL4318440 0.75 CYP3A4 (0.62) SCDSCD5RAB9ASMN1; SMN2ALDH1A1
SCHEMBL368236 0.75 SCD (0.55) SCDSCD5RAB9ASMN1; SMN2KMT2A
SCHEMBL17788518 0.75 SCD (0.55) SCDSCD5RAB9ASMN1; SMN2KMT2A
SCHEMBL30589115 0.75 SCD (0.55) SCDSCD5RAB9ASMN1; SMN2KMT2A
SCHEMBL13363887 0.74 TP53 (0.59) SCDSCD5RAB9ASMN1; SMN2KMT2A
SCHEMBL363027 0.74 KMO (0.43) SCDSCD5RAB9ASMN1; SMN2KMO
SCHEMBL15189995 0.74 RAB9A (0.57) RAB9ASMN1; SMN2KMT2APOLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed