SCHEMBL23399798

SCHEMBL23399798

Cc1cccc(-n2nc(-c3ccccc3)c(CC(C)C)c2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.45
ALDH1A1 P00352 9/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 4/20 0.38
GLA P06280 3/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL23399819 0.94 ALDH1A1 (0.44) RPA1ALDH1A1L3MBTL1NPC1NFKB1
SCHEMBL23399877 0.93 ALDH1A1 (0.45) RPA1ALDH1A1L3MBTL1NPC1NFKB1
SCHEMBL23401184 0.93 ALDH1A1 (0.38) RPA1ALDH1A1L3MBTL1NPC1NFKB1
SCHEMBL23398586 0.88 KMT2A (0.44) ALDH1A1NPC1NFKB1RAB9ASMN1; SMN2
SCHEMBL23400698 0.86 SMN1; SMN2 (0.41) ALDH1A1NPC1NFKB1RAB9ASMN1; SMN2
SCHEMBL23398601 0.86 KMT2A (0.44) ALDH1A1NPC1NFKB1RAB9ASMN1; SMN2
SCHEMBL23403477 0.86 RPA1 (0.48) RPA1ALDH1A1L3MBTL1NPC1NFKB1
SCHEMBL23400545 0.86 IDO1 (0.41) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23401705 0.85 CA1 (0.46) MEN1KMT2ATP53MAPK13MAPK12
SCHEMBL23402784 0.85 L3MBTL1 (0.45) ALDH1A1L3MBTL1NPC1NFKB1RAB9A

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