SCHEMBL6204957

SCHEMBL6204957

CC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ABL2 P42684 1/20 0.40
MMP13 P45452 1/20 0.40
HDAC2 Q92769 1/20 0.37
PYGL P06737 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KMT2A Q03164 1/20 0.36
FBP1 P09467 3/20 0.35
HRH4 Q9H3N8 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ABCB1 P08183 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
SCHEMBL6517373 0.89 ADH1A (0.52) ADH1AKITFLT1FLT4KDR
SCHEMBL6517367 0.89 ADH1A (0.52) ADH1AKITFLT1FLT4KDR
SCHEMBL436370 0.89 MMP13 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL6207384 0.87 HDAC2 (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL6206358 0.87 HRH4 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL8107297 0.86 SMN1; SMN2 (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL6206250 0.86 MEN1 (0.44) KDM4EKMT2AHRH4NPC1RAB9A
SCHEMBL469094 0.85 MMP13 (0.42) ADH1AKITFLT1FLT4KDR
SCHEMBL10111775 0.85 MMP13 (0.42) ADH1AKITFLT1FLT4KDR
SCHEMBL16151965 0.84 MMP13 (0.41) 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