SCHEMBL9775343

SCHEMBL9775343

COc1nc(C)nc(NC(=O)c2cccc(Cl)c2S(N)(=O)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MT-CO2 P00403 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10914174 0.85 KMT2A (0.42) KMT2ACA1CA2CA9MEN1
SCHEMBL8304162 0.82 CA1 (0.50) KMT2ACA1CA2CA9MEN1
SCHEMBL28457469 0.80 CA2 (0.40) KMT2ACA1CA2CA9MEN1
SCHEMBL11637514 0.79 ALDH1A1 (0.47) KMT2AMAPTSMN1; SMN2ITGB1ITGA4
SCHEMBL10749518 0.76 STAT3 (0.47) KMT2AMAPTSMN1; SMN2CA1CA2
SCHEMBL8303132 0.75 ALDH1A1 (0.36) KMT2AMAPTCA1CA2CA9
SCHEMBL8589747 0.74 MEN1 (0.36) KMT2ACA1CA2CA9MEN1
SCHEMBL2369909 0.74 KMT2A (0.47) KMT2AF2MAPTHPGDSMN1; SMN2
SCHEMBL10909928 0.74 ALDH1A1 (0.45) KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL10310551 0.72 JAK2 (0.56) KMT2AF2MAPTHPGDSMN1; SMN2

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-5013659-A Hybrid to resist sulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-07 US disclosed