SCHEMBL7829834

SCHEMBL7829834

Cc1ccc(Cc2c(C)n[nH]c2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
AR P10275 1/20 0.49
SRD5A2 P31213 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5900723 0.89 MEN1 (0.57) MEN1KMT2ALMNAARALDH1A1
SCHEMBL7817971 0.88 MEN1 (0.57) MEN1KMT2ALMNAARHSD17B10
SCHEMBL7402930 0.84 MEN1 (0.53) MEN1KMT2ALMNAAR
SCHEMBL8188646 0.82 AR (0.51) MEN1KMT2ALMNAARHSD17B10
SCHEMBL20488966 0.81 LMNA (0.50) MEN1KMT2ALMNAARALDH1A1
SCHEMBL13313003 0.76 LMNA (0.66) MEN1KMT2ALMNAARHSD17B10
SCHEMBL4064130 0.75 MEN1 (1.00) MEN1KMT2ALMNAARSRD5A2
SCHEMBL4652482 0.74 HCAR2 (0.43) MEN1KMT2ALMNAAR
SCHEMBL5025427 0.74 ALDH1A1 (0.52) MEN1KMT2ALMNAARHSD17B10
SCHEMBL28266776 0.73 AR (0.60) MEN1KMT2ALMNAARALDH1A1

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