SCHEMBL19147993

SCHEMBL19147993

Cc1cccc(C)c1-c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.38
GRIA1 P42261 3/20 0.37
CACNG8 Q8WXS5 3/20 0.37
MGAM O43451 4/20 0.34
GAA P10253 4/20 0.34
SI P14410 4/20 0.34
MGAM2 Q2M2H8 4/20 0.34
TNKS O95271 6/20 0.34
TNKS2 Q9H2K2 6/20 0.34
PARP1 P09874 4/20 0.34
DHODH Q02127 1/20 0.33
YES1 P07947 1/20 0.33
AKT2 P31751 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP2 Q9UGN5 2/20 0.31

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
SCHEMBL27362947 0.85 NPSR1 (0.34) SRCGRIA1CACNG8GAA
SCHEMBL9161616 0.81 TRPA1 (0.43) GRIA1CACNG8GAA
SCHEMBL2028396 0.80 ADH5 (0.32)
SCHEMBL184092 0.79 DCUN1D1 (0.44) GAATNKSTNKS2PARP1KMT2A
SCHEMBL13411813 0.78 ADH5 (0.36)
Hydrochloric Acid SCHEMBL28614073 0.77 DCUN1D1 (0.43) GAATNKSTNKS2PARP1KMT2A
Methylamine SCHEMBL27536632 0.77 KMT2A (0.42) AKT2KMT2A
SCHEMBL6893249 0.77 DCUN1D1 (0.43) KMT2A
SCHEMBL27761645 0.77 FGFR1 (0.41) GAAAKT2KMT2A
SCHEMBL28873607 0.76 ALDH1A1 (0.52) TNKSTNKS2PARP1KMT2A

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-2017122209-A2 NF-kappaB INHIBITORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-20 WO disclosed