SCHEMBL2163308

SCHEMBL2163308

C=CCc1nc2ccccc2n1CC=C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.68
GAA P10253 1/20 0.68
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
LMNA P02545 1/20 0.59
KDM4E B2RXH2 4/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.54

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
SCHEMBL1520132 0.85 PKM (0.67) PKMGAARAB9ANPC1LMNA
SCHEMBL2146952 0.84 PKM (0.69) PKMGAARAB9ANPC1LMNA
SCHEMBL5275956 0.83 MEN1 (0.68) RAB9ALMNAPOLBNPSR1MAPT
SCHEMBL17654496 0.80 TP53 (0.61) PKMGAARAB9ANPC1LMNA
SCHEMBL6527375 0.79 TP53 (0.66) PKMGAARAB9ANPC1LMNA
SCHEMBL9262989 0.78 TLR8 (0.60) LMNAPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL2952525 0.78 PKM (0.58) PKMGAARAB9ANPC1LMNA
SCHEMBL1668107 0.78 KDM4E (0.64) PKMGAARAB9ALMNAKDM4E
SCHEMBL4077904 0.78 LMNA (0.60) PKMGAARAB9ANPC1LMNA
SCHEMBL10415288 0.78 LMNA (0.60) PKMGAARAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017213809-A1 NON-LINEAR SIDE CHAIN LIQUID CRYSTAL POLYORGANOSILOXANES AND METHODS FOR THEIR PREPARATION AND USE IN ELECTRO-OPTIC APPLICATIONS AND DEVICES DOW CORNING CORPORATION (US) 2017-12-14 WO disclosed
WO-2011081567-A1 AGENT FOR TREATING MULTIPLE SCLEROSIS АВЕРИН, Константин Михайлович (RU) 2011-07-07 WO disclosed