SCHEMBL2147079

SCHEMBL2147079

CC(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
POLB P06746 2/20 0.66
IDO1 P14902 1/20 0.66
TAAR1 Q96RJ0 1/20 0.62
MLKL Q8NB16 3/20 0.60
ALOX12 P18054 1/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALPL P05186 1/20 0.53
MAPK1 P28482 1/20 0.53
DDAH1 O94760 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL3397595 0.89 ALPL (0.58) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL16756243 0.89 ALPL (0.58) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL16756501 0.89 ALPL (0.58) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL30665026 0.88 ALDH1A1 (0.66) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL85832 0.88 ALDH1A1 (0.66) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL8957989 0.84 ALDH1A1 (0.53) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL23181664 0.84 POLB (0.61) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL8330903 0.84 TAAR1 (0.68) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL22761575 0.84 POLB (0.61) ALDH1A1POLBIDO1TAAR1MLKL
SCHEMBL21180833 0.84 POLB (0.61) ALDH1A1POLBIDO1TAAR1MLKL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526129-B1 ETHYLENE POLYMERISATION PROCESS SAUDI BASIC IND CORP (SABIC) (SA) 2017-09-27 EP disclosed
WO-2011088990-A1 ETHYLENE POLYMERISATION SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2011-07-28 WO disclosed
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP disclosed
US-6541486-B1 Used for treating ischemia, such as results from stroke or myocardial infarction, trauma, neurodegeneration, and inflammation. ELAN PHARMA INTERNATIONAL LTD. (IE) 2003-04-01 US disclosed