SCHEMBL18098652

SCHEMBL18098652

Cc1ccc(-n2c(C)nnc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
AVPR1A P37288 2/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13703856 0.84 KDM4E (0.47) KDM4EALOX15TSHRL3MBTL1TDP1
SCHEMBL12362801 0.80 ESR1 (0.44) KDM4EALOX15TDP1AVPR1ATP53
SCHEMBL1562163 0.80 L3MBTL1 (0.43) KDM4EALOX15TSHRL3MBTL1TDP1
SCHEMBL3421771 0.79 AVPR1A (0.67) KDM4EALOX15TSHRAVPR1AALDH1A1
SCHEMBL19142550 0.78 MAPK9 (0.63) KDM4EALOX15TSHRL3MBTL1TDP1
SCHEMBL1563395 0.78 LMNA (0.45) KDM4EALOX15TSHRL3MBTL1TDP1
SCHEMBL13231655 0.75 KDM4E (0.57) KDM4EALOX15TSHRL3MBTL1TDP1
SCHEMBL12713286 0.75 KDM4E (0.52) KDM4EALOX15TSHRL3MBTL1TDP1
SCHEMBL9726823 0.75 ALDH1A1 (0.48) KDM4EALOX15L3MBTL1AVPR1ATP53
SCHEMBL13543619 0.72 MAPT (0.58) KDM4EALOX15TSHRL3MBTL1TDP1

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
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed