SCHEMBL7628563

SCHEMBL7628563

CCCCN(CCC)c1nc(C)nc(OS(=O)(=O)c2ccc(C)cc2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
CRHR1 P34998 3/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
MCHR1 Q99705 1/20 0.34
VCAM1 P19320 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL7484135 0.80 KEAP1 (0.51) KEAP1NFE2L2MEN1KMT2AHTT
SCHEMBL9124238 0.78 MAPT (0.36) MEN1KMT2ACRHR1HTTLMNA
SCHEMBL9123678 0.77 MAPT (0.37) MEN1KMT2ACRHR1TDP1HTT
SCHEMBL9123708 0.76 ALDH1A1 (0.37) CRHR1ALDH1A1MAPT
SCHEMBL17585445 0.75 MAPT (0.46) KEAP1NFE2L2MEN1KMT2AHTT
SCHEMBL2492570 0.72 LMNA (0.44) KEAP1NFE2L2MEN1KMT2AALPL
SCHEMBL9121713 0.71 MEN1 (0.35) MEN1KMT2ACRHR1TDP1HTT
SCHEMBL9124554 0.71 MEN1 (0.38) MEN1KMT2AATMCRHR1VCAM1
SCHEMBL9124923 0.68 CRHR1 (0.42) MEN1KMT2ACRHR1TDP1LMNA
SCHEMBL9125993 0.68 CRHR1 (0.36) CRHR1TDP1

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
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed