SCHEMBL928356

SCHEMBL928356

COC(=O)Nc1ccc(Sc2ccc3nc(N(C)C(=O)O)[nH]c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
CYP1A2 P05177 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NR1I2 O75469 1/20 0.60
MAPK14 Q16539 1/20 0.60
KDR P35968 6/20 0.49
TEK Q02763 4/20 0.49
MMP1 P03956 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KCNH2 Q12809 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HIF1A Q16665 2/20 0.47
CYP2C19 P33261 1/20 0.47
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
MET P08581 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
SCHEMBL928813 0.87 KMT2A (0.52) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL11118273 0.84 LMNA (0.57) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL6029536 0.81 LMNA (0.77) LMNACYP1A2MEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL31436134 0.76 TAAR1 (0.39) LMNACYP1A2MEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL20610147 0.76 TAAR1 (0.39) LMNACYP1A2MEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL20610148 0.76 TAAR1 (0.39) LMNACYP1A2MEN1KMT2ANR1I2
Fenbendazole SCHEMBL30384658 0.75 LMNA (1.00) LMNACYP1A2MEN1KMT2ANR1I2
Fenbendazole SCHEMBL8469702 0.75 LMNA (1.00) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL9791253 0.75 LMNA (0.46) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL8531423 0.74 CYP1A2 (0.58) LMNACYP1A2MEN1KMT2ANR1I2

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