SCHEMBL23398488

SCHEMBL23398488

CCc1nn(-c2ccc(C)cc2)c(O)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
STAT1 P42224 1/20 0.38
GCGR P47871 1/20 0.37
DHFR P00374 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37

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
SCHEMBL23400191 0.94 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL23402138 0.93 HEXA (0.42) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL23398516 0.91 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL23399535 0.89 USP2 (0.40) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL23402107 0.85 NPC1 (0.55) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL23401553 0.85 CA1 (0.47) ALDH1A1TP53MAPK13MAPK12MAPK11
SCHEMBL23403280 0.85 RPA1 (0.48) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL23402276 0.85 DPP4 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23399678 0.83 USP2 (0.43) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL23398623 0.82 MEN1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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