SCHEMBL9053159

SCHEMBL9053159

CN1CCN(c2cccc3ccc(Nc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.48
HTR1A P08908 3/20 0.47
HTR1D P28221 3/20 0.47
HTR1B P28222 3/20 0.47
BRD4 O60885 1/20 0.46
PIM1 P11309 1/20 0.44
CDK4 P11802 1/20 0.44
CCND3 P30281 1/20 0.44
MTOR P42345 1/20 0.44
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 6/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 1/20 0.43
AURKA O14965 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT6 Q8N6T7 2/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL6305447 0.84 WDR5 (0.52) WDR5HTR1AHTR1DHTR1BALDH1A1
SCHEMBL6313939 0.84 WDR5 (0.54) WDR5ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL6305795 0.83 KMT2A (0.58) WDR5HTR1AHTR1DHTR1BBRD4
SCHEMBL6307926 0.83 SIRT6 (0.52) WDR5HTR1AHTR1DHTR1BALDH1A1
SCHEMBL6308059 0.79 GABRP (0.48) HTR1AHTR1DHTR1BBRD4PIM1
SCHEMBL6313812 0.79 WDR5 (0.60) WDR5ALDH1A1POLBKMT2AGAA
SCHEMBL9052843 0.75 HTR1A (0.49) HTR1AHTR1DHTR1BALDH1A1KMT2A
SCHEMBL6305476 0.74 HTR1A (0.54) HTR1AHTR1DHTR1BHTR6CDK2
SCHEMBL9058689 0.72 HTR1A (0.64) WDR5HTR1AHTR1DHTR1B
SCHEMBL6313054 0.71 MAPT (0.61) HTR1AHTR1DHTR1BPOLBHTR6

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
EP-0689536-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-03 EP disclosed