SCHEMBL9682835

SCHEMBL9682835

COc1nc(OC)nc(Oc2cccc(Cl)c2C(=O)OCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
DHODH Q02127 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL9622229 0.90 NPSR1 (0.56) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL20830632 0.85 KMT2A (0.52) KMT2APOLBMEN1ALDH1A1TDP1
SCHEMBL9754628 0.85 DHODH (0.43) KMT2APOLBMEN1NPSR1ALDH1A1
SCHEMBL9682580 0.81 CA12 (0.49) NPSR1
SCHEMBL9193808 0.81 ALDH1A1 (0.52) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9567412 0.78 NPSR1 (0.44) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL10534108 0.78 CYP1A2 (0.59) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9220565 0.78 NPSR1 (0.53) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9221963 0.77 CYP1A2 (0.52) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9191891 0.77 ALDH1A1 (0.48) KMT2APOLBMEN1NPSR1ALDH1A1

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-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 US disclosed