SCHEMBL28495147

SCHEMBL28495147

O=Cc1cn(C(=O)c2ccccc2)c2cccc(I)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
ACHE P22303 1/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.35
DYRK1A Q13627 1/20 0.35
P2RX4 Q99571 1/20 0.35
HTR6 P50406 1/20 0.34
ERN1 O75460 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL28490523 0.92 HPGD (0.38) PTGS2L3MBTL1TSHRRAB9AKMT2A
SCHEMBL28495086 0.88 PTGS2 (0.46) PTGS2KMT2AACHEPOLB
SCHEMBL28496079 0.88 PTGS2 (0.46) PTGS2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL28497701 0.88 PTGS2 (0.46) PTGS2L3MBTL1RAB9AKMT2AKDM4E
SCHEMBL28488401 0.86 ELANE (0.47) PTGS2L3MBTL1KMT2A
SCHEMBL28487030 0.86 PARP1 (0.40) PTGS2L3MBTL1ALDH1A1
SCHEMBL249819 0.85 ALDH1A1 (0.33) L3MBTL1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL28495797 0.85 AKR1C1 (0.42) TSHRRAB9AKMT2AKDM4EALDH1A1
SCHEMBL28492579 0.85 KMT2A (0.48) L3MBTL1KMT2AALDH1A1ACHEPOLB
SCHEMBL28500871 0.83 PTGS2 (0.43) PTGS2L3MBTL1TSHRRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028811-A 4-iodo-indole compound and preparation method thereof 平顶山学院 2020-12-04 CN claimed
CN-112028811-B 4-iodo-indole compound and preparation method thereof 平顶山学院 2022-03-22 CN disclosed
CN-112028811-A 4-iodo-indole compound and preparation method thereof 平顶山学院 2020-12-04 CN disclosed