SCHEMBL18862228

SCHEMBL18862228

Cc1ccc(C)c(CCC2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL33 O95760 2/20 0.46
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 4/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
APAF1 O14727 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38

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 0.74 MAPT (0.59) IL33MAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL18862279 0.71 IL33 (0.52) IL33MAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL18862272 0.70 IL33 (0.55) IL33MAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL15347324 0.68 ALDH1A1 (0.53) IL33MAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL18862275 0.67 KDM4E (0.59) IL33MAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL18862282 0.67 IL33 (0.46) IL33ACHEBCHEMAPTMAPK1
SCHEMBL5780317 0.66 MEN1 (0.44) ACHEBCHEMAPTALDH1A1MEN1
SCHEMBL16316318 0.66 ALDH1A1 (0.49) IL33MAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL17589738 0.64 IL33 (0.46) IL33MAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL18862269 0.64 NOS3 (0.52) IL33MAPTMAPK1ALDH1A1L3MBTL1

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