SCHEMBL8097983

SCHEMBL8097983

CC(=O)Nc1cccc(C=CC(=O)N2CC(CCl)c3c2cc(N)c2ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
ABL2 P42684 1/20 0.41
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HDAC4 P56524 2/20 0.34
EP300 Q09472 1/20 0.34
MEF2D Q14814 1/20 0.34

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
SCHEMBL8097976 1.00 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL6206907 0.91 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL31238374 0.91 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL6206911 0.91 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL6205394 0.87 ADH1A (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL6205398 0.87 ADH1A (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL5623925 0.84 ADH1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL5623921 0.84 ADH1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL31237464 0.84 ADH1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL6207802 0.81 ADH1A (0.35) ADH1AKITFLT1FLT4KDR

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-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US disclosed