SCHEMBL6206911

SCHEMBL6206911

CC(=O)Nc1ccc(C=CC(=O)N2CC(CCl)c3c2cc(N)c2ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.45
KIT P10721 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ABL2 P42684 1/20 0.45
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 5/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
KCNH2 Q12809 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38

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
SCHEMBL6206907 1.00 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL31238374 1.00 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL8097976 0.91 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL8097983 0.91 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL74903 0.85 ALDH1A1 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL74904 0.85 ALDH1A1 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL31238343 0.82 ADH1A (0.40) ADH1AKITFLT1FLT4KDR
SCHEMBL5623925 0.80 ADH1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL5623921 0.80 ADH1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL31237464 0.80 ADH1A (0.43) 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 4 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
EP-0938474-A2 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-01 EP disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 WO disclosed