SCHEMBL7829159

SCHEMBL7829159

Cc1ccc(-c2c(C)n[nH]c2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.49
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
CHEK1 O14757 1/20 0.44
AKT2 P31751 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
HSP90AA1 P07900 1/20 0.40
SRD5A2 P31213 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40

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
SCHEMBL27518675 0.88 AKT2 (0.59) KDM4ERAB9AGAACHEK1AKT2
SCHEMBL7829911 0.87 RAB9A (0.48) ALPLKDM4ERAB9AGAACHEK1
SCHEMBL23294609 0.76 KMO (0.45) ALPLHSP90AA1FTO
SCHEMBL23780336 0.75 PIN1 (0.50) RAB9ACHEK1AKT2SMN1; SMN2MEN1
SCHEMBL7777288 0.75 PTGS2 (0.45) HSP90AA1
SCHEMBL7780065 0.74 CA9 (0.46) HSP90AA1LMNA
SCHEMBL21262737 0.74 AKT2 (0.70) CHEK1AKT2SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL7404293 0.72 F11 (0.52)
SCHEMBL7829834 0.72 MEN1 (0.60) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7353969 0.72 JAK2 (0.43) HSP90AA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO disclosed