SCHEMBL23398458

SCHEMBL23398458

Cc1ccc(-n2nc(-c3ccccc3C)cc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 5/20 0.43
LMNA P02545 5/20 0.43
ALOX15 P16050 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 7/20 0.43
ALDH1A1 P00352 3/20 0.43
STAT1 P42224 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43

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 0.90 FABP3 (0.49) DCTPP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL23402698 0.86 MEN1 (0.44) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL23398597 0.85 RPA1 (0.46) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL23399722 0.83 ALDH1A1 (0.46) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL16330805 0.81 SMN1; SMN2 (0.60) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL23401334 0.80 SMN1; SMN2 (0.65) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL23402744 0.78 SMN1; SMN2 (0.69) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL23399397 0.77 KMT2A (0.53) DCTPP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL23403457 0.77 CYP1A2 (0.44) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL23402326 0.75 NPC1 (0.58) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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