SCHEMBL8683232

SCHEMBL8683232

CCN(CCO)C(C)n1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 1/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
TSHR P16473 6/20 0.48
CASP1 P29466 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 5/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
JAK2 O60674 1/20 0.47
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL8373801 0.81 RXFP1 (0.72) RXFP1KMT2AMEN1NPC1ATM
Bamifylline SCHEMBL219043 0.79 RXFP1 (0.60) RXFP1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL682786 0.78 RXFP1 (0.65) RXFP1KMT2AMEN1NPC1ATM
Bamifylline SCHEMBL637064 0.78 RXFP1 (0.58) RXFP1KMT2AMEN1LMNASMN1; SMN2
Bamifylline SCHEMBL1648640 0.77 RXFP1 (0.57) RXFP1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3099603 0.75 RXFP1 (1.00) RXFP1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL684310 0.75 RXFP1 (0.66) RXFP1KMT2AMEN1LMNASMN1; SMN2
Bamifylline SCHEMBL27460692 0.74 RXFP1 (0.53) RXFP1KMT2AMEN1LMNASMN1; SMN2
Bamifylline SCHEMBL28086377 0.72 TSHR (0.53) RXFP1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL19829270 0.72 TSHR (0.64) RXFP1KMT2AMEN1LMNASMN1; SMN2

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
US-5739331-A PREPARING BAMIFYLLINE AND ETAMIPHYLLINE S.A. NYCOMED CHRISTIAENS N.V. (BE) 1998-04-14 US disclosed