SCHEMBL7963734

SCHEMBL7963734

CCNC(=O)c1ccnc(-c2cc(C(=O)NCC)ccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
KDM5B Q9UGL1 4/20 0.55
KDM5A P29375 4/20 0.55
KDM5C P41229 4/20 0.55
KDM6B O15054 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
KDM2A Q9Y2K7 2/20 0.50
KDM3A Q9Y4C1 2/20 0.50
KDM1A O60341 4/20 0.48
HDAC1 Q13547 4/20 0.48
CDK8 P49336 1/20 0.47
SMYD2 Q9NRG4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM4A O75164 1/20 0.45
RIPK1 Q13546 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL13383551 0.94 KDM4E (0.69) KDM4EKDM5BKDM5AKDM5CKDM6B
SCHEMBL14291398 0.92 KDM4E (0.52) KDM4EKDM5BKDM5AKDM5CKDM6B
SCHEMBL2877274 0.91 KDM5B (0.67) KDM4EKDM5BKDM5AKDM5CKDM6B
SCHEMBL13702267 0.88 ACACB (0.57) KDM4EKDM5BKDM5AKDM5CKDM1A
SCHEMBL28590470 0.87 JMJD6 (0.66) KDM4EKDM5BKDM5AKDM5CSMYD2
SCHEMBL9792819 0.86 KDM4E (0.64) KDM4EKDM5BKDM5AKDM5CKDM6B
SCHEMBL13702392 0.85 ABL1 (0.53) KDM4EKDM5BKDM5AKDM5CKDM1A
SCHEMBL4353042 0.84 ITGB3 (0.47) KDM4EKDM5BKDM5AKDM5CKDM6B
SCHEMBL12061585 0.84 KDM5A (0.47) KDM4EKDM5BKDM5AKDM5CKDM1A
SCHEMBL13702255 0.84 CYP2A6 (0.52) KDM1AHDAC1CDK8HDAC6RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed