SCHEMBL9729959

SCHEMBL9729959

COc1cc(OC)nc(N(C(=N)NN)S(=O)(=O)c2ccccc2OC(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.31
NR1I2 O75469 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9730399 0.81 CA1 (0.45) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL9342205 0.74 GAA (0.39) SMN1; SMN2SLC22A12TP53GLAMAPT
SCHEMBL9682927 0.73 MEN1 (0.36) MEN1KMT2ASLC22A12PTGES2NR1I2
SCHEMBL9742404 0.72 HCRTR1 (0.43) SMN1; SMN2NPSR1MEN1KMT2ASLC22A12
SCHEMBL9740917 0.70 SMN1; SMN2 (0.38) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL11053614 0.70 SLC22A12 (0.34) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8089115 0.69 CA1 (0.44) MEN1KMT2AMAPTGAANPC1
SCHEMBL10876495 0.69 SMN1; SMN2 (0.47) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL11111292 0.69 GAA (0.60) CYP1A2KMT2ATP53GLAMAPT
SCHEMBL10961061 0.69 HCRTR1 (0.41) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5125960-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed