SCHEMBL928813

SCHEMBL928813

CN(C(=O)O)c1nc2ccc(Sc3ccc(NC(=O)Nc4ccccc4)cc3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPK14 Q16539 1/20 0.52
KDR P35968 7/20 0.45
TEK Q02763 3/20 0.45
MMP1 P03956 1/20 0.45
HPSE Q9Y251 2/20 0.42
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
MCHR1 Q99705 1/20 0.40
S1PR1 P21453 1/20 0.40
OPRD1 P41143 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL11118273 0.89 LMNA (0.57) KMT2AMEN1NR1I2LMNACYP1A2
SCHEMBL928356 0.87 LMNA (0.60) KMT2AMEN1NR1I2LMNACYP1A2
SCHEMBL6029624 0.80 LMNA (0.65) KMT2AMEN1NR1I2LMNACYP1A2
SCHEMBL9791253 0.79 LMNA (0.46) KMT2AMEN1NR1I2LMNACYP1A2
Hydrochloric Acid SCHEMBL31436134 0.76 TAAR1 (0.39) KMT2AMEN1NR1I2LMNACYP1A2
Hydrochloric Acid SCHEMBL20610148 0.76 TAAR1 (0.39) KMT2AMEN1NR1I2LMNACYP1A2
Hydrochloric Acid SCHEMBL20610147 0.76 TAAR1 (0.39) KMT2AMEN1NR1I2LMNACYP1A2
SCHEMBL11839896 0.74 MEN1 (0.37) KMT2AMEN1NR1I2LMNACYP1A2
SCHEMBL8531423 0.74 CYP1A2 (0.58) KMT2AMEN1NR1I2LMNACYP1A2
SCHEMBL11842748 0.73 CHEK2 (0.41) KMT2AMEN1NR1I2LMNACYP1A2

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-7875727-B2 methyl [5(6)-(4-alanylaminophenylthio)-1H-benzimidazol-2yl]carbamate; for treating neovascularization, solid tumors, macular degeneration, diabetic retinopathy, rheumatoid arthritis, psoriasis, and atherosclerosis ANGIOGENE PHARMACEUTICALS LTD. (GB) 2011-01-25 US disclosed