SCHEMBL29530822

SCHEMBL29530822

Ic1cnn(-c2cccc(-n3cc(I)cn3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36
ALKBH2 Q6NS38 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL26644111 0.87 HTR3E (0.40) NPC1MAPTRAB9AATMSMN1; SMN2
SCHEMBL16566332 0.83 ALOX5 (0.40) NPC1MAPTRAB9AIDH1IDH2
SCHEMBL5668701 0.79 ALKBH2 (0.57) MAPTRAB9ASMN1; SMN2ALKBH2EGLN1
SCHEMBL4895758 0.75 KDM4E (0.49) NPC1MAPTRAB9AATMSMN1; SMN2
SCHEMBL8211885 0.74 CYP1A2 (0.56) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL2784980 0.72 GAA (0.59) NPC1MAPTRAB9ASMN1; SMN2ALKBH2
SCHEMBL21877530 0.72 PLAU (0.33) MAPTL3MBTL1IDH1IDH2EGLN1
SCHEMBL12075549 0.71 GRM5 (0.48) NPC1MAPTRAB9AATMSMN1; SMN2
SCHEMBL13601887 0.69 CCR1 (0.38) NPC1RAB9ASMN1; SMN2IDH1IDH2
SCHEMBL16566387 0.68 ALKBH2 (0.33) IDH1IDH2ALKBH2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114316222-B Polymer rich in aromatic ring structure, and preparation method and application thereof 盐城工学院 2024-05-28 CN claimed
CN-114316222-A Polymer rich in aromatic ring structure and preparation method and application thereof 盐城工学院 2022-04-12 CN claimed
CN-114316222-B Polymer rich in aromatic ring structure, and preparation method and application thereof 盐城工学院 2024-05-28 CN disclosed
CN-114316222-B Polymer rich in aromatic ring structure, and preparation method and application thereof 盐城工学院 2024-05-28 CN disclosed
CN-114316222-A Polymer rich in aromatic ring structure and preparation method and application thereof 盐城工学院 2022-04-12 CN disclosed
CN-114316222-A Polymer rich in aromatic ring structure and preparation method and application thereof 盐城工学院 2022-04-12 CN disclosed