SCHEMBL8712232

SCHEMBL8712232

C/C(=N/Nc1ccccc1Br)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
KMT2A Q03164 7/20 0.49
NPC1 O15118 6/20 0.49
MEN1 O00255 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 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
SCHEMBL8712234 1.00 RAB9A (0.49) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL18512240 0.83 TDP1 (0.48) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL9053232 0.81 ALDH1A1 (0.52) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL9053235 0.81 ALDH1A1 (0.52) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL3212540 0.79 KMT2A (0.45) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL3212537 0.79 KMT2A (0.45) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL12215821 0.78 ALDH1A1 (0.41) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL2522391 0.78 ALDH1A1 (0.41) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL2522389 0.78 ALDH1A1 (0.41) RAB9AKMT2ANPC1MEN1L3MBTL1
SCHEMBL21685492 0.78 MAPT (0.44) RAB9AKMT2ANPC1MEN1L3MBTL1

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
WO-1998004532-A1 FUNGICIDAL ARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYLIC COMPOUNDS AGREVO UK LIMITED (GB) 1998-02-05 WO disclosed