SCHEMBL6672205

SCHEMBL6672205

Cc1ccccc1CNC(=O)N(c1ccc(O)c([N+](=O)[O-])c1)N(Cc1ccccc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.40
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.36
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KCNMA1 Q12791 1/20 0.35
ALOX12 P18054 1/20 0.35
RORC P51449 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
SCHEMBL6672203 0.79 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL4347023 0.79 KMT2A (0.53) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL4356006 0.77 NPC1 (0.57) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL4347021 0.75 MEN1 (0.64) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL4351943 0.72 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL4359597 0.69 LMNA (0.42) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL4354177 0.69 MEN1 (0.57) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL6668453 0.67 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL6691056 0.67 FFAR1 (0.47) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL4353654 0.67 MAPT (0.49) MEN1KMT2ASMN1; SMN2MAPTHPGD

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-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed