SCHEMBL11588171

SCHEMBL11588171

CCCOc1cccc(NC(=O)c2ccccc2I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
THRB P10828 1/20 0.58
NR1H4 Q96RI1 3/20 0.58
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 3/20 0.53
GAA P10253 3/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK1 P28482 1/20 0.52
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NR3C1 P04150 1/20 0.52

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
SCHEMBL11589490 0.94 THRB (0.67) LMNATHRBNR1H4MAPTALDH1A1
SCHEMBL11588440 0.93 THRB (0.62) LMNATHRBNR1H4MAPTALDH1A1
SCHEMBL11589558 0.92 THRB (0.61) LMNATHRBNR1H4MAPTALDH1A1
SCHEMBL11784409 0.86 LMNA (0.70) LMNATHRBNR1H4MAPTALDH1A1
SCHEMBL11590267 0.85 ALDH1A1 (0.74) LMNATHRBNR1H4MAPTALDH1A1
SCHEMBL11588074 0.84 NR1H4 (0.59) NR1H4MAPTALDH1A1MEN1KMT2A
SCHEMBL28498495 0.83 RAB9A (0.71) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL16553649 0.82 KCNK3 (0.70) LMNATHRBNR1H4MAPTALDH1A1
SCHEMBL11458980 0.82 KMT2A (0.60) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL11588011 0.81 KMT2A (0.54) MEN1KMT2ATDP1SMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4123554-A Fungicidal and germicidal benzanilides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1978-10-31 US claimed
US-4123554-A Fungicidal and germicidal benzanilides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1978-10-31 US disclosed