SCHEMBL7074182

SCHEMBL7074182

O=C(O)c1[nH]c2ccc(N3CCOCC3)cc2c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
CDK2 P24941 3/20 0.50
KIF11 P52732 2/20 0.50
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
MAP2 P11137 1/20 0.47
HTT P42858 2/20 0.44
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PIK3C2B O00750 1/20 0.43

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
SCHEMBL7074236 0.92 POLB (0.47) EGFRCDK2KIF11POLBPKM
SCHEMBL7842628 0.74 KDM4E (0.47) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL7592453 0.72 GPR35 (0.43) NPSR1CNR1
SCHEMBL7682574 0.71 KDM4A (0.43) KMT2AMEN1ALDH1A1
SCHEMBL31025881 0.70 ALDH1A1 (0.53) EGFRCDK2KIF11KMT2AKDM4E
SCHEMBL21392230 0.69 KIF11 (0.50) EGFRCDK2KIF11KMT2AKDM4E
SCHEMBL7072708 0.69 GPR17 (0.61) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL7680945 0.69 PTPRC (0.44) ALDH1A1MAPTLMNAHPGD
SCHEMBL9864307 0.69 MAPT (0.65) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL622987 0.68 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1MAPT

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
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed