SCHEMBL23401451

SCHEMBL23401451

Cc1cccc(-n2nc(O)c(C)c2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
RPA1 P27694 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
RIPK2 O43353 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
NPY5R Q15761 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
NOTUM Q6P988 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MGLL Q99685 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL23402575 0.82 KDM4C (0.53) ALDH1A1L3MBTL1LMNAMAPTNPC1
SCHEMBL23398512 0.81 RIPK2 (0.47) ALDH1A1L3MBTL1RPA1LMNAMAPT
SCHEMBL23399734 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1RPA1LMNAMAPT
SCHEMBL23402555 0.81 RIPK2 (0.47) ALDH1A1L3MBTL1RPA1LMNAMAPT
SCHEMBL23399745 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1LMNAMAPT
SCHEMBL23400551 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1LMNAMAPT
SCHEMBL23398822 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1LMNAMAPT
SCHEMBL23400386 0.80 RPA1 (0.52) ALDH1A1L3MBTL1RPA1LMNATP53
Phenol SCHEMBL28102038 0.80 RPA1 (0.49) ALDH1A1L3MBTL1RPA1LMNAMAPT
SCHEMBL23402128 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1RPA1LMNAMAPT

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