SCHEMBL6806330

SCHEMBL6806330

Cc1[nH]c2ccccc2c1-c1nc2cccc(C(N)=O)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PARP1 P09874 9/20 0.44
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATP4A P20648 3/20 0.41
ATP4B P51164 3/20 0.41
CHEK1 O14757 2/20 0.41
PDGFRB P09619 2/20 0.41
FGFR1 P11362 2/20 0.41
FLT1 P17948 2/20 0.41
KDR P35968 2/20 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
SCHEMBL6806325 0.83 PARP1 (0.62) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6805633 0.82 PARP1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6805412 0.81 MAPK14 (0.46) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL17048129 0.79 KDM4E (0.56) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL6802033 0.77 FGFR1 (0.51) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3579908 0.75 PARP1 (0.61) KDM4EALDH1A1HPGDPARP1
SCHEMBL6805769 0.74 KDM4E (0.37) KDM4EALDH1A1MAPTNPSR1PARP1
SCHEMBL6805352 0.74 PARP1 (0.44) PARP1CHEK1FGFR1KDRBTK
SCHEMBL6806909 0.73 KDM4E (0.38) KDM4EALDH1A1LMNAHSD17B10PARP1
SCHEMBL871830 0.73 PARP1 (0.58) HSD17B10PARP1CHEK1FGFR1KDR

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed