SCHEMBL6806586

SCHEMBL6806586

CC(=O)n1cc(-c2nc3cccc(C(N)=O)c3[nH]2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
CREBBP Q92793 5/20 0.44
BRPF1 P55201 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
PARP1 P09874 5/20 0.41
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CDC7 O00311 1/20 0.37

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
SCHEMBL6806949 0.87 KDM4E (0.59) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6806583 0.83 PARP1 (0.57) PARP1
SCHEMBL6810283 0.78 PARP1 (0.42) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6801383 0.78 L3MBTL1 (0.51) HTTKDM4EPOLB
SCHEMBL27461815 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6802033 0.74 FGFR1 (0.51) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL8648025 0.72 PARP1 (0.67) PARP1CDC7
SCHEMBL3579908 0.72 PARP1 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL6587773 0.72 PARP1 (0.46) HTTCREBBPBRPF1BRD9KDM4E
SCHEMBL30394690 0.71 CREBBP (0.58) HTTCREBBPBRPF1BRD9KDM4E

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