SCHEMBL16645353

SCHEMBL16645353

O=C(O)c1ccc(N(O)c2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
SLC22A12 Q96S37 12/20 0.53
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
ALKBH2 Q6NS38 1/20 0.45
ALKBH3 Q96Q83 1/20 0.45
FTO Q9C0B1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
PTK2B Q14289 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
SCHEMBL27791538 0.76 ALDH1A1 (1.00) MEN1ALDH1A1KMT2ASLC22A12BCL2L1
SCHEMBL3553632 0.76 SLC16A3 (0.68) MEN1ALDH1A1KMT2ASLC22A12BCL2L1
SCHEMBL3726033 0.76 SLC22A12 (0.65) MEN1ALDH1A1KMT2ASLC22A12BCL2L1
SCHEMBL3566896 0.76 SLC16A3 (0.61) MEN1ALDH1A1KMT2ASLC22A12BCL2L1
SCHEMBL3563709 0.74 MEN1 (0.57) MEN1ALDH1A1KMT2ASLC22A12BCL2L1
SCHEMBL3555598 0.73 PKLR (0.58) MEN1ALDH1A1KMT2ASLC22A12ALKBH2
SCHEMBL27535606 0.72 MEN1 (0.54) MEN1ALDH1A1KMT2ASLC22A12BCL2L1
SCHEMBL6541948 0.71 KMT2A (0.80) MEN1ALDH1A1KMT2ASLC22A12BCL2L1
SCHEMBL3720283 0.71 SLC22A12 (0.62) MEN1ALDH1A1KMT2ASLC22A12ALKBH2
SCHEMBL2668794 0.70 MEN1 (0.61) MEN1ALDH1A1KMT2ASLC22A12BCL2L1

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed