SCHEMBL29936671

SCHEMBL29936671

O=C(c1ccccc1I)n1ccc2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.48
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
GRM4 Q14833 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNMA1 Q12791 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GRIK1 P39086 1/20 0.36

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
SCHEMBL28615748 0.86 OXER1 (0.50) OXER1MGLLGRM4TSHRRAB9A
SCHEMBL28835529 0.83 TSHR (0.51) OXER1GRM4TSHRRAB9AL3MBTL1
SCHEMBL29936818 0.83 TSHR (0.51) OXER1GRM4TSHRRAB9AL3MBTL1
SCHEMBL22955594 0.82 OXER1 (0.50) OXER1GRM4TSHRRAB9AL3MBTL1
SCHEMBL28835530 0.82 TSHR (0.60) FAAHMGLLGRM4TSHRRAB9A
SCHEMBL5616762 0.80 ENPP3 (0.39) MGLLGRM4TSHRRAB9AL3MBTL1
SCHEMBL31435522 0.80 RAB9A (0.66) OXER1TSHRRAB9AL3MBTL1HDAC3
SCHEMBL28389613 0.74 GRM4 (0.54) OXER1GRM4TSHRL3MBTL1HDAC6
SCHEMBL2659180 0.74 OXER1 (0.63) OXER1TSHRRAB9AL3MBTL1NOTUM
SCHEMBL8132976 0.72 OXER1 (0.57) OXER1TSHRRAB9AL3MBTL1NOTUM

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
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