SCHEMBL9682336

SCHEMBL9682336

C=C(C)C(=O)CCN(C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.68
MAPT P10636 8/20 0.50
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPK1 P28482 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NOS1 P29475 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL6209324 0.85 MAPT (0.50) MMP14MAPTMEN1KMT2ANPC1
SCHEMBL6209327 0.85 MAPT (0.50) MMP14MAPTMEN1KMT2ANPC1
SCHEMBL9119582 0.83 MMP14 (0.60) MMP14MAPTALDH1A1POLBGAA
SCHEMBL8748242 0.83 MMP14 (0.60) MMP14MAPTALDH1A1POLBGAA
SCHEMBL28728125 0.81 MMP14 (0.70) MMP14MAPTALDH1A1POLBGAA
SCHEMBL9358069 0.81 MMP14 (0.70) MMP14MAPTALDH1A1POLBGAA
SCHEMBL9358077 0.81 MMP14 (0.70) MMP14MAPTALDH1A1POLBGAA
SCHEMBL9551060 0.80 MMP14 (0.61) MMP14MAPTALDH1A1POLBGAA
SCHEMBL8748245 0.80 MMP14 (0.61) MMP14MAPTALDH1A1POLBGAA
SCHEMBL9436600 0.80 MMP14 (0.61) MMP14MAPTALDH1A1POLBGAA

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-5143577-A SMOOTH-WALL POLYMERIC CHANNEL AND RIB WAVEGUIDES EXHIBITING LOW OPTICAL LOSS HOECHST CELANESE CORPORATION (US) 1992-09-01 US claimed
WO-1992013726-A1 SMOOTH-WALL POLYMERIC CHANNEL AND RIB WAVEGUIDES EXHIBITING LOW OPTICAL LOSS HOECHST CELANESE CORPORATION (US) 1992-08-20 WO claimed