SCHEMBL13765375

SCHEMBL13765375

CCOC(=O)c1c(S(=O)(=O)N2CCNCC2)c2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.44
HTR6 P50406 2/20 0.43
CYP2C9 P11712 1/20 0.43
GBA1 P04062 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 3/20 0.42
NOD1 Q9Y239 3/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL13783475 0.89 MAPT (0.40) MEN1KMT2AMAPK1CYP2C9GBA1
Hydrochloric Acid SCHEMBL2922661 0.88 ELANE (0.43) MEN1KMT2AMAPK1HTR6CYP2C9
SCHEMBL13765376 0.83 SMN1; SMN2 (0.46) MEN1KMT2AMAPK1HTR6KDM4E
SCHEMBL12392496 0.82 NOD2 (0.48) MEN1KMT2AHTR6MAPTKDM4E
SCHEMBL13765391 0.81 ALDH1A1 (0.43) MEN1KMT2AMAPK1GBA1MAPT
SCHEMBL13765387 0.80 NOD2 (0.46) MEN1KMT2AHTR6CYP2C9MAPT
SCHEMBL2929041 0.78 SMN1; SMN2 (0.47) MEN1KMT2AMAPK1MAPTKDM4E
SCHEMBL2928016 0.78 KMT2A (0.47) MEN1KMT2AMAPK1MAPTKDM4E
SCHEMBL12229940 0.77 NOD2 (0.49) MEN1KMT2AHTR6MAPTKDM4E
SCHEMBL2924410 0.76 ALDH1A1 (0.45) MEN1KMT2AHTR6CYP2C9MAPT

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-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed