SCHEMBL11728115

SCHEMBL11728115

CCC(=O)Oc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
RAB9A P51151 7/20 0.77
KMT2A Q03164 7/20 0.77
NPC1 O15118 6/20 0.77
MEN1 O00255 6/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
POLB P06746 2/20 0.77
USP2 O75604 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
NFKB1 P19838 3/20 0.74
NFKB2 Q00653 3/20 0.74
RELA Q04206 3/20 0.74
LMNA P02545 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
DYRK1A Q13627 4/20 0.63
DYRK1B Q9Y463 2/20 0.63
GAA P10253 2/20 0.59
TP53 P04637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALOX15 P16050 1/20 0.55

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
SCHEMBL11724128 0.92 RAB9A (0.74) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11725983 0.88 RAB9A (0.79) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL6231579 0.87 MAPT (1.00) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11724340 0.86 KMT2A (0.77) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11725599 0.86 RAB9A (0.60) MAPTRAB9AKMT2ANPC1MEN1
Frentizole SCHEMBL599582 0.85 RAB9A (1.00) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11724096 0.85 RAB9A (0.74) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11729251 0.84 KMT2A (0.73) MAPTRAB9AKMT2ANPC1MEN1
Frentizole SCHEMBL11433152 0.84 RAB9A (0.98) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11728152 0.84 RAB9A (0.66) MAPTRAB9AKMT2ANPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4046770-A IMMUNE REGULANTS ELI LILLY AND COMPANY (US) 1977-09-06 US claimed
US-4046770-A IMMUNE REGULANTS ELI LILLY AND COMPANY (US) 1977-09-06 US disclosed