SCHEMBL29923911

SCHEMBL29923911

COc1cc(C(=O)NS(C)(=O)=O)c2nc(C)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 2/20 0.49
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
PTGER4 P35408 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 2/20 0.39
SCN2B O60939 1/20 0.39
SCN1A P35498 1/20 0.39
SCN1B Q07699 1/20 0.39
SCN5A Q14524 1/20 0.39
GLO1 Q04760 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MCL1 Q07820 1/20 0.37
PARP1 P09874 1/20 0.37
MYC P01106 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
SCHEMBL2015530 0.79 KDM4E (0.49) NFKBIAAKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL24916230 0.77 SCN9A (0.36) AKR1C3AKR1C2PTGER4ALDH1A1KDM4E
SCHEMBL29923902 0.75 HPGDS (0.53) NFKBIAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL29923203 0.74 PSMD14 (0.42) NFKBIAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL29923773 0.73 KMT2A (0.47) ALDH1A1KDM4EKMT2A
SCHEMBL10777486 0.71 SCN9A (0.52) AKR1C3AKR1C2PTGER4ALDH1A1SMN1; SMN2
SCHEMBL16618346 0.70 SCN9A (0.53) AKR1C3AKR1C2KDM4ESCN9ASCN5A
SCHEMBL28529190 0.69 NFKBIA (0.50) NFKBIAMAPT
SCHEMBL363816 0.67 SCN9A (0.53) SCN9ASCN1ASCN5A
SCHEMBL364291 0.67 SCN9A (0.64) SCN9ASCN2BSCN1ASCN1BSCN5A

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed