SCHEMBL11069338

SCHEMBL11069338

CCc1c(C)nc(NC(=O)NS(=O)(=O)c2c(C)cccc2C(=O)O)nc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
ACLY P53396 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL11072814 0.91 KMT2A (0.40) KMT2AALDH1A1KDM4ECA12CA2
SCHEMBL11082145 0.86 CA12 (0.36) KMT2AALDH1A1KDM4ENPC1CA12
SCHEMBL11073912 0.84 CA12 (0.48) ALDH1A1KDM4ENPC1CA12CA2
SCHEMBL4047516 0.84 GAA (0.45) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL6313355 0.81 GAA (0.57) KMT2ASMN1; SMN2MAPTGAA
SCHEMBL987342 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL694106 0.78 GAA (0.41) KMT2AALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL8463975 0.77 GAA (0.47) KMT2AMAPTGAAACLY
SCHEMBL6440652 0.77 GAA (0.47) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL11069326 0.76 NPC1 (0.48) KMT2AALDH1A1KDM4ENPC1CA2

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
EP-0023140-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP claimed