SCHEMBL27645487

SCHEMBL27645487

CCC(=O)C(=N)c1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.49
RECQL P46063 1/20 0.48
LMNA P02545 5/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.38

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
SCHEMBL22271642 0.85 VCAM1 (0.53) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL26687977 0.80 VCAM1 (0.57) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL27666607 0.79 KDM4E (0.41) RECQLLMNAGAAALDH1A1MAPT
SCHEMBL874344 0.79 VCAM1 (0.55) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL21051856 0.78 SMN1; SMN2 (0.60) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL21051836 0.78 ALDH1A1 (0.58) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL6819387 0.77 KMT2A (0.59) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL11630929 0.76 LMNA (0.50) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL22271446 0.76 VCAM1 (0.49) VCAM1RECQLLMNAGAAALDH1A1
SCHEMBL16050141 0.76 VCAM1 (0.53) VCAM1RECQLLMNAGAAALDH1A1

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
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed