SCHEMBL6964564

SCHEMBL6964564

O=S(=O)(OCC1CCC(c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.38
PIM1 P11309 1/20 0.37
NAMPT P43490 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NPY5R Q15761 1/20 0.36
KCNH2 Q12809 2/20 0.35
KCNA5 P22460 2/20 0.35
RPS6KB1 P23443 1/20 0.35
KDM1A O60341 3/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CKS1B P61024 1/20 0.35
SKP2 Q13309 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK13 O15264 1/20 0.34

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
SCHEMBL5209916 0.86 KMT2A (0.46) KMT2ATSHRNAMPTNPY5RCKS1B
SCHEMBL5204794 0.86 KMT2A (0.46) KMT2ATSHRNAMPTNPY5RCKS1B
SCHEMBL5206599 0.77 GBA1 (0.48) KMT2ATSHRNPY5RMEN1
SCHEMBL5203241 0.76 KDM1A (0.46) KMT2AKCNH2KDM1AMAOBMEN1
SCHEMBL5203603 0.76 CCR5 (0.43) KMT2ANPY5RKCNH2KDM1AMAOB
SCHEMBL6964170 0.75 MAPK13 (0.43) KMT2AKCNH2KDM1AMAOBMAOA
SCHEMBL27986660 0.74 RPS6KB1 (0.49) PIM1NPY5RRPS6KB1KDM1AMAOB
SCHEMBL5203558 0.72 VCP (0.47) KMT2APIM1KCNH2KDM1AMAOB
SCHEMBL5206571 0.72 VCP (0.43) KMT2APIM1KCNH2KDM1AMAOB
SCHEMBL5205247 0.72 VCP (0.45) KMT2APIM1KCNH2KDM1AMAOB

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-1306085-A1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor Neurogen Corporation (US) 2003-05-02 EP disclosed