SCHEMBL4754675

SCHEMBL4754675

Nc1ncc(C2CC2)c(N2CCNCC2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.38
ADRB1 P08588 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
ADRB2 P07550 1/20 0.33
FLT3 P36888 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33

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
SCHEMBL4757090 0.82 HTT (0.34) MAPTSMN1; SMN2HTTNPC1CYP2C19
SCHEMBL4757089 0.82 HTT (0.34) MAPTSMN1; SMN2HTTNPC1CYP2C19
SCHEMBL13985469 0.76 MAPT (0.47) MAPTALDH1A1KCNH2
SCHEMBL13985740 0.71 LMNA (0.57) SMN1; SMN2KMT2A
SCHEMBL17967804 0.70 HTT (0.41) MAPTSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL8562692 0.69 HTT (0.40) MAPTSMN1; SMN2HTTNPC1HTR2C
SCHEMBL27542489 0.67 KMT2A (0.44) MAPTALDH1A1HTTNPC1CYP3A4
SCHEMBL29199212 0.67 ATR (0.36) MAPTSMN1; SMN2HTTNPC1
SCHEMBL29199220 0.67 IDO1 (0.39) MAPTALDH1A1HTTNPC1KMT2A
SCHEMBL22696605 0.66 HTT (0.44) MAPTSMN1; SMN2ALDH1A1HTTNPC1

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
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed