SCHEMBL6806949

SCHEMBL6806949

Cn1cc(-c2nc3cccc(C(N)=O)c3[nH]2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CDC7 O00311 1/20 0.48
GRK2 P25098 1/20 0.44
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ASH1L Q9NR48 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL6806586 0.87 HTT (0.46) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL6810283 0.82 PARP1 (0.42) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL6806945 0.82 PARP1 (0.60) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL6801383 0.80 L3MBTL1 (0.51) KDM4EHTT
SCHEMBL27461815 0.75 KDM4E (0.54) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL6802033 0.75 FGFR1 (0.51) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6801942 0.74 MAPT (0.40) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL8648025 0.74 PARP1 (0.67) CDC7PARP1
SCHEMBL3579908 0.73 PARP1 (0.61) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL2292691 0.73 KDM4E (0.54) KDM4ENPC1ALDH1A1LMNAMAPT

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