SCHEMBL6285961

SCHEMBL6285961

O=C(C[CH]c1ccccc1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 5/20 0.48
NAAA Q02083 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL3796868 0.85 MEN1 (0.44) NPC1TDP1SMN1; SMN2POLBHPGD
SCHEMBL3801355 0.83 YAP1 (0.45) NPC1TDP1POLBKMT2AMEN1
SCHEMBL3797896 0.77 ME2 (0.64) NPC1TDP1HTTPOLBALDH1A1
SCHEMBL2824681 0.76 MAPT (0.62) SMN1; SMN2HTTHPGDKMT2AMEN1
SCHEMBL3796066 0.76 MEN1 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL3799763 0.76 GFER (0.62) NPC1SMN1; SMN2HTTPOLBHPGD
SCHEMBL2824049 0.76 KMT2A (0.64) NPC1TDP1SMN1; SMN2POLBKMT2A
SCHEMBL15258825 0.76 HTT (0.57) SMN1; SMN2HTTPOLBKMT2AMEN1
SCHEMBL3796307 0.73 ME2 (0.56) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL2820894 0.73 RAB9A (0.57) SMN1; SMN2HTTKMT2AMEN1RAB9A

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
CN-107108467-A cell necrosis inhibitor 北京生命科学研究所 2017-08-29 CN disclosed
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 US disclosed