SCHEMBL7736081

SCHEMBL7736081

COC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
LMNA P02545 5/20 0.58
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6926582 0.89 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6926572 0.87 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6720224 0.79 LMNA (0.70) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL193275 0.77 TSHR (0.68) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30443852 0.77 TSHR (0.68) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL426359 0.74 USP10 (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10231311 0.73 HSP90AA1 (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10090763 0.73 SMN1; SMN2 (0.70) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL544644 0.72 TSHR (0.68) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6647253 0.71 MEN1 (0.72) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US disclosed