SCHEMBL18862279

SCHEMBL18862279

CN1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IL33 O95760 2/20 0.52
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ APAF1 O14727 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PDE4B Q07343 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL18862278 0.88 MAPT (0.59) IL33MAPTALDH1A1L3MBTL1NPC1
SCHEMBL18862272 0.78 IL33 (0.55) IL33MAPTALDH1A1L3MBTL1NPC1
SCHEMBL15347324 0.78 ALDH1A1 (0.53) IL33MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL18862269 0.74 NOS3 (0.52) IL33MAPTALDH1A1L3MBTL1NPC1
SCHEMBL16316318 0.74 ALDH1A1 (0.49) IL33MAPTALDH1A1L3MBTL1NPC1
SCHEMBL18862275 0.74 KDM4E (0.59) IL33MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL13219632 0.73 POLB (0.64) MAPTALDH1A1L3MBTL1NPC1MEN1
SCHEMBL4586698 0.71 ACHE (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL623536 0.71 ALDH1A1 (0.52) MAPTALDH1A1L3MBTL1NPC1MAPK1
SCHEMBL622199 0.71 ALDH1A1 (0.49) IL33MAPTALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017083242-A1 INHIBITORS OF SUPPRESSION OF TUMORIGENCITY 2 (ST2) AND METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-05-18 — — WO disclosed
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