SCHEMBL28835530

SCHEMBL28835530

O=C(c1ccccc1I)n1ccc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NOTUM Q6P988 1/20 0.54
MET P08581 1/20 0.41
KMT2A Q03164 2/20 0.40
TFPI2 P48307 1/20 0.40
NPY4R P50391 1/20 0.40
GAA P10253 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL9654115 0.83 L3MBTL1 (0.69) TSHRRAB9AL3MBTL1NOTUMMET
SCHEMBL29936818 0.82 TSHR (0.51) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL28835529 0.82 TSHR (0.51) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL29936671 0.82 OXER1 (0.48) TSHRRAB9AL3MBTL1NOTUMGRM4
SCHEMBL29936456 0.82 TSHR (0.51) TSHRRAB9AL3MBTL1NOTUMTFPI2
SCHEMBL28835540 0.82 TSHR (0.51) TSHRRAB9AL3MBTL1NOTUMTFPI2
SCHEMBL8447109 0.80 RAB9A (0.60) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL21777692 0.80 TSHR (0.60) TSHRRAB9AL3MBTL1NOTUMLMNA
SCHEMBL29494636 0.80 RAB9A (0.60) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL28529485 0.80 RAB9A (0.60) TSHRRAB9AL3MBTL1NOTUMMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115011977-A Method for continuously and electrically synthesizing indoline compound by using micro-reaction device 南京工业大学 2022-09-06 CN claimed
CN-115011977-B Method for continuously and electrically synthesizing indoline compounds by utilizing micro-reaction device 南京工业大学 2023-06-20 CN disclosed
CN-115011977-B Method for continuously and electrically synthesizing indoline compounds by utilizing micro-reaction device 南京工业大学 2023-06-20 CN disclosed
CN-115011977-A Method for continuously and electrically synthesizing indoline compound by using micro-reaction device 南京工业大学 2022-09-06 CN disclosed
CN-115011977-A Method for continuously and electrically synthesizing indoline compound by using micro-reaction device 南京工业大学 2022-09-06 CN disclosed