SCHEMBL23398597

SCHEMBL23398597

Cc1cccc(-n2nc(-c3ccccc3C)cc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.46
ALDH1A1 P00352 3/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
KMT2A Q03164 4/20 0.42
HPGD P15428 4/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
ALOX15 P16050 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 7/20 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
SCHEMBL23403283 0.88 FABP3 (0.49) ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL23398458 0.85 DCTPP1 (0.46) ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL23402698 0.84 MEN1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL23400587 0.82 ALDH1A1 (0.58) RPA1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23402124 0.80 ALDH1A1 (0.60) RPA1ALDH1A1IDO1RAB9ASMN1; SMN2
SCHEMBL23399722 0.80 ALDH1A1 (0.46) ALDH1A1IDO1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23403518 0.79 ALDH1A1 (0.49) RPA1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23403124 0.78 ALDH1A1 (0.47) RPA1ALDH1A1IDO1TDO2RAB9A
SCHEMBL23402387 0.78 RPA1 (0.51) RPA1ALDH1A1IDO1TDO2RAB9A
SCHEMBL23403503 0.76 ALDH1A1 (0.67) RPA1ALDH1A1RAB9AL3MBTL1NPC1

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