SCHEMBL5795321

SCHEMBL5795321

NCCc1ccccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
CYP2A13 Q16696 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.43
NCF1 P14598 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.42
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41

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
SCHEMBL1541573 0.90 LMNA (0.42) LMNAMAPTCYP2A13SMN1; SMN2HSD17B10
SCHEMBL111193 0.86 NCF1 (0.57) LMNAMAPTCYP2A13GAASMN1; SMN2
SCHEMBL5105938 0.84 KDM1A (0.42) MAPTCYP2A13GAASMN1; SMN2NCF1
SCHEMBL10244134 0.83 PKM (0.49) LMNAMAPTCYP2A13SMN1; SMN2HSD17B10
SCHEMBL1460361 0.83 LMNA (0.44) LMNAMAPTGAASMN1; SMN2HSD17B10
SCHEMBL10558443 0.82 KEAP1 (0.53) GAANCF1ALDH1A1NPC1KMT2A
SCHEMBL6509065 0.80 PKM (0.60) LMNAMAPTCYP2A13SMN1; SMN2HSD17B10
SCHEMBL6703722 0.80 LMNA (0.48) LMNAMAPTCYP2A13HSD17B10ALDH1A1
SCHEMBL7008376 0.80 SMN1; SMN2 (0.51) LMNAMAPTCYP2A13SMN1; SMN2HSD17B10
SCHEMBL3633909 0.79 NCF1 (0.67) LMNAMAPTGAANCF1ALDH1A1

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-2006017406-A1 CYANOAMIDINE P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2006-02-16 WO disclosed