SCHEMBL23400720

SCHEMBL23400720

CCCCc1nn(CC(C)C)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
GCGR P47871 2/20 0.36
ADORA3 P0DMS8 4/20 0.36
DPP4 P27487 1/20 0.35
ADORA2A P29274 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL23402271 0.92 MAPT (0.35) MAPTGCGRADORA3DPP4NPC1
SCHEMBL23399847 0.88 HSD11B1 (0.37) MAPTGCGRADORA3ADORA2AADORA1
SCHEMBL23398607 0.86 HEXA (0.34) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL23403036 0.86 MAPT (0.42) MAPTADORA3DPP4ADORA2ANPC1
SCHEMBL23402560 0.86 MAPT (0.40) MAPTGCGRADORA3DPP4ADORA2A
SCHEMBL23398947 0.86 MAPT (0.42) MAPTGCGRADORA3DPP4ADORA2A
SCHEMBL23401949 0.85 TP53 (0.41) MAPTGCGRADORA3ADORA2ANPC1
SCHEMBL23403169 0.84 GCGR (0.39) MAPTGCGRADORA3DPP4ADORA2A
SCHEMBL23401967 0.83 HPGD (0.37) MAPTDPP4NPC1RAB9AKDM4E
SCHEMBL23402937 0.82 MAPT (0.39) MAPTADORA3DPP4NPC1RAB9A

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed