SCHEMBL6863943

SCHEMBL6863943

Cc1cccc(CN2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.62
SLC27A1 Q6PCB7 1/20 0.59
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL6864740 0.88 SLC27A1 (0.67) SLC27A1SMN1; SMN2
SCHEMBL7108865 0.88 SLC27A1 (0.57) CLK1SLC27A1
SCHEMBL6864105 0.88 SLC27A1 (0.62) SLC27A1SMN1; SMN2
SCHEMBL6862327 0.85 SLC27A1 (0.56) SLC27A1SMN1; SMN2
SCHEMBL6863835 0.85 CSNK1D (0.59) SLC27A1
SCHEMBL6864926 0.85 ALDH1A1 (0.61) SLC27A1MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL11254394 0.81 PKM (0.59) CLK1
SCHEMBL8358629 0.79 SLC27A1 (0.63) CLK1SLC27A1MEN1KMT2A
SCHEMBL4806814 0.79 SLC27A1 (0.63) SLC27A1MEN1KMT2A
SCHEMBL8351312 0.78 ALDH1A1 (0.76) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6150129-A USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed