SCHEMBL6774589

SCHEMBL6774589

O=C(Nc1ccccc1Cl)Nc1[nH]nc2ncncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
RAB9A P51151 5/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
CASP3 P42574 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP8 Q96LD8 2/20 0.43
EPHB3 P54753 1/20 0.43
PLK4 O00444 1/20 0.42
PAK1 Q13153 1/20 0.42
MCL1 Q07820 1/20 0.42
LMNA P02545 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL6774600 0.80 KDM4E (0.50) KDM4ERAB9AMAPTHTTPOLB
SCHEMBL4686972 0.72 HTT (0.48) KDM4ERAB9AMAPTHTTPOLB
SCHEMBL4686975 0.71 PAK1 (0.62) KDM4ERAB9AMAPTHTTSMN1; SMN2
SCHEMBL10458447 0.71 KDM4E (0.72) KDM4ERAB9AMAPTHTTPOLB
SCHEMBL6774592 0.68 MAPT (0.51) KDM4ERAB9AMAPTHTTPOLB
SCHEMBL3297016 0.66 BRD4 (0.60) RAB9AHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6774596 0.65 KDM4E (0.47) KDM4ERAB9AMAPTHTTPOLB
SCHEMBL22926342 0.65 HTT (1.00) KDM4ERAB9AMAPTHTTPOLB
SCHEMBL10540658 0.64 MEN1 (0.61) KDM4ERAB9AMAPTHTTPOLB
SCHEMBL24449161 0.64 CYP1A2 (0.77) KDM4ERAB9AMAPTHTTPOLB

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-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed