SCHEMBL23907015

SCHEMBL23907015

Cc1cc(=O)n(-c2ccc(C(C)C)cc2)n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.64
MGLL Q99685 1/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
FPR2 P25090 1/20 0.39
KMT2A Q03164 5/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 4/20 0.37
TYR P14679 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL4849110 0.82 NAPRT (0.68) NAPRTLMNAKDM4EALDH1A1RECQL
SCHEMBL4322796 0.82 NAPRT (0.68) NAPRTMGLLLMNAALDH1A1POLB
SCHEMBL5052007 0.82 NAPRT (0.72) NAPRTMGLLLMNAKDM4EALDH1A1
SCHEMBL3531406 0.79 NAPRT (0.68) NAPRTMGLLKDM4EPOLBL3MBTL1
SCHEMBL11049152 0.79 NAPRT (0.68) NAPRTMGLLLMNAALDH1A1POLB
SCHEMBL11005335 0.79 NAPRT (0.68) NAPRTMGLLALDH1A1POLBALKBH5
Antipyrine SCHEMBL20452 0.78 NAPRT (1.00) NAPRTLMNAKDM4EALDH1A1POLB
Antipyrine SCHEMBL8736656 0.77 NAPRT (0.96) NAPRTLMNAKDM4EALDH1A1POLB
Antipyrine SCHEMBL8995343 0.77 NAPRT (0.96) NAPRTLMNAKDM4EALDH1A1POLB
Antipyrine SCHEMBL18260589 0.77 NAPRT (0.96) NAPRTLMNAKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892734-B1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2024-08-28 EP disclosed
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed