SCHEMBL9152873

SCHEMBL9152873

COc1nc(NC(=O)c2cccc(S(N)(=O)=O)c2Cl)nc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 2/20 0.38
CA5A P35218 1/20 0.38
JAK2 O60674 1/20 0.37
P2RX7 Q99572 4/20 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) MEN1KMT2ACA1CA2CA9
SCHEMBL10922897 0.80 MEN1 (0.36) MEN1KMT2ACA1CA2CA9
SCHEMBL8304162 0.74 CA1 (0.50) MEN1KMT2ACA1CA2CA9
SCHEMBL8843178 0.73 ALDH1A1 (0.57) MEN1KMT2ACA1CA2CA9
SCHEMBL8589747 0.73 MEN1 (0.36) MEN1KMT2ACA1CA2CA9
SCHEMBL28457469 0.73 CA2 (0.40) MEN1KMT2ACA1CA2CA9
SCHEMBL9749899 0.73 MAPT (0.46) MEN1KMT2ACA1CA2CA9
SCHEMBL8842964 0.73 ALDH1A1 (0.56) MEN1KMT2ACA1CA2CA9
SCHEMBL9364251 0.73 MAPT (0.43) MEN1KMT2ACA1CA2CA9
SCHEMBL30297961 0.72 MEN1 (0.42) MEN1KMT2ACA1CA2CA9

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-5478798-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed