SCHEMBL6204595

SCHEMBL6204595

COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HRH4 Q9H3N8 1/20 0.45
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
FLT3 P36888 2/20 0.44
KDM4E B2RXH2 1/20 0.43
AKR1C3 P42330 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FPR2 P25090 4/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
ADH1A P07327 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL6517364 0.90 ADH1A (0.53) MEN1KMT2AHRH4PDGFRBPDGFRA
SCHEMBL6517359 0.90 ADH1A (0.53) MEN1KMT2AHRH4PDGFRBPDGFRA
SCHEMBL2399027 0.89 MEN1 (0.49) MEN1KMT2AHRH4PDGFRBPDGFRA
SCHEMBL8107146 0.88 ADH1A (0.45) MEN1KMT2AHRH4AKR1C3NPC1
SCHEMBL8113421 0.88 PDGFRB (0.51) MEN1KMT2APDGFRBPDGFRAFLT3
SCHEMBL6206250 0.87 MEN1 (0.44) MEN1KMT2AHRH4PDGFRBPDGFRA
SCHEMBL7672527 0.86 MEN1 (0.47) MEN1KMT2AHRH4PDGFRBPDGFRA
SCHEMBL6207384 0.85 HDAC2 (0.44) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL5864982 0.84 DRD2 (0.44) MEN1KMT2AHRH4PDGFRBPDGFRA
SCHEMBL18269960 0.84 AKR1C3 (0.41) MEN1KMT2AHRH4PDGFRBPDGFRA

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