SCHEMBL7834893

SCHEMBL7834893

Cc1c(Cl)n(CCCCl)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPT P10636 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
SCHEMBL7822006 0.87 LGMN (0.44) ADORA3ADORA2BTP53PKMRAB9A
SCHEMBL7830852 0.84 CCNB2 (0.43) ADORA3ADORA2BSMN1; SMN2CCNB2CDK1
SCHEMBL7835021 0.83 MAPT (0.41) ADORA3ADORA2BPKMRAB9ASMN1; SMN2
SCHEMBL7847076 0.83 ADORA3 (0.41) ADORA3ADORA2BPKMRAB9ASMN1; SMN2
SCHEMBL7844326 0.82 KDM4E (0.41) ADORA3ADORA2BTP53PKMRAB9A
SCHEMBL11196780 0.76 KDM4E (0.49) PKMSMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL7830685 0.76 KMT2A (0.58) SMN1; SMN2CCNB2CDK1CCNB1GSK3A
SCHEMBL7831973 0.76 KMT2A (0.55) SMN1; SMN2CCNB2CDK1CCNB1GSK3A
SCHEMBL7821723 0.76 LMNA (0.50) TP53SMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL7830310 0.75 MEN1 (0.48) ADORA3ADORA2BPKMRAB9ASMN1; SMN2

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-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed