SCHEMBL30061569

SCHEMBL30061569

Cc1c(Br)c(=O)c(C(=O)O)nn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALPL P05186 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
IKBKB O14920 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
SCHEMBL3140977 0.86 RAB9A (0.49) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL31336698 0.74 RAB9A (0.39) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL4594309 0.74 ALDH1A1 (0.40) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL9179037 0.74 MAPK1 (0.56) RAB9APOLBNPC1SMN1; SMN2MEN1
SCHEMBL27269496 0.73 RAB9A (0.48) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL22437556 0.73 SMN1; SMN2 (0.50) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL8308094 0.72 POLB (0.59) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL16268552 0.71 GAA (0.38) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL16797981 0.71 GAA (0.39) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL10759709 0.71 KMT2A (0.46) POLBSMN1; SMN2LMNAMEN1KMT2A

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
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed
EP-4110779-A1 COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-01-04 EP disclosed