SCHEMBL7262732

SCHEMBL7262732

O=C1C=C(Nc2ccc(I)cn2)C(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ MAPK1 P28482 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ BLM P54132 5/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ EPHB2 P29323 1/20 0.48
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43

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
SCHEMBL7263264 0.83 MAPT (0.53) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7268884 0.83 RAB9A (0.53) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7271120 0.79 RAB9A (0.58) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7264114 0.75 MAPT (0.54) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7262766 0.72 MAPT (0.62) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL21666862 0.70 EDNRA (0.36) MAPTRAB9ALMNAL3MBTL1MEN1
SCHEMBL29633257 0.70 MAPT (1.00) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL754259 0.70 MAPT (1.00) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL28408126 0.68 MAPT (0.96) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL670916 0.68 HCAR3 (0.56) MAPTRAB9AMAPK1NPC1ALDH1A1

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-6653311-B1 Minimal or no effect on cycloxygenase-1 and -2 activity BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY 2003-11-25 — — US claimed
US-6653311-B1 Minimal or no effect on cycloxygenase-1 and -2 activity BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY 2003-11-25 — — US disclosed
Send feedback