SCHEMBL23399781

SCHEMBL23399781

Cc1ccc(-n2nc(O)c(C)c2CC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.41
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 5/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NLRP1 Q9C000 1/20 0.33
ESR1 P03372 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL23401061 0.88 CACNA1H (0.53) CACNA1HALDH1A1LMNARAB9AHPGD
SCHEMBL23402095 0.86 CACNA1H (0.36) CACNA1HALDH1A1MEN1KMT2ATP53
SCHEMBL23403131 0.85 LMNA (0.41) CACNA1HALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL23399480 0.84 SMN1; SMN2 (0.37) CACNA1HMEN1KMT2ATP53LMNA
SCHEMBL23403031 0.84 CACNA1H (0.34) CACNA1HALDH1A1MEN1KMT2ATP53
SCHEMBL23399509 0.82 CDK8 (0.39) CACNA1HALDH1A1MEN1KMT2ATP53
SCHEMBL23399125 0.82 ALDH1A1 (0.42) CACNA1HALDH1A1KMT2ATP53LMNA
SCHEMBL23401766 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATP53LMNA
SCHEMBL23402394 0.81 ALDH1A1 (0.40) CACNA1HALDH1A1MEN1KMT2ATP53
SCHEMBL23403032 0.80 CACNA1H (0.41) CACNA1HALDH1A1MEN1KMT2ATP53

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