SCHEMBL23402128

SCHEMBL23402128

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
RPA1 P27694 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
SPR P35270 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
RIPK2 O43353 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL14495384 0.82 KDM4C (0.62) ALDH1A1MAPTLMNAMAPK1KDM4C
SCHEMBL23403699 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23400883 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23400885 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23398799 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23402531 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23401145 0.81 RIPK2 (0.56) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23401122 0.80 RPA1 (0.52) ALDH1A1L3MBTL1MAPTLMNARPA1
Phenol SCHEMBL28102038 0.80 RPA1 (0.49) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23403628 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTLMNAMAPK1

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