SCHEMBL6207802

SCHEMBL6207802

COC(=O)N(c1cc2c(c3ccccc13)C(CCl)CN2C(=O)/C=C/c1cccc(NC(C)=O)c1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.35
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
ABL2 P42684 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.31
LMNA P02545 2/20 0.30
TP53 P04637 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6207807 0.81 EPHX2 (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL6207811 0.81 EPHX2 (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL8097976 0.81 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL8097983 0.81 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL6205394 0.80 ADH1A (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL6205398 0.80 ADH1A (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL6205069 0.77 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL6206911 0.73 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL6206907 0.73 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL31238374 0.73 ADH1A (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2005-11-23 EP disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US disclosed