SCHEMBL11622639

SCHEMBL11622639

C=CCc1c([N+](=O)[O-])ccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.42
HCAR3 P49019 1/20 0.41
TSHR P16473 3/20 0.40
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
BACE1 P56817 1/20 0.36
HSPA1A P0DMV8 1/20 0.35
PTPN7 P35236 1/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 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
SCHEMBL11758387 0.87 DTYMK (0.44) DTYMKHCAR3TSHRCASP6ALDH1A1
SCHEMBL16401319 0.82 TSHR (0.54) DTYMKHCAR3TSHRCASP6ALDH1A1
SCHEMBL28910119 0.80 TSHR (0.46) DTYMKHCAR3TSHRCASP6ALDH1A1
SCHEMBL8831890 0.78 ALDH1A1 (0.34) DTYMKHCAR3TSHRALDH1A1TDP1
SCHEMBL22832208 0.78 MAPT (0.34) HCAR3ALDH1A1TDP1CYP3A4BACE1
SCHEMBL3807102 0.77 KMT2A (0.35) HCAR3TSHRCASP6ALDH1A1TDP1
SCHEMBL11625787 0.76 RXRA (0.47) DTYMKHCAR3TSHRCASP6ALDH1A1
SCHEMBL10426613 0.76 FBP1 (0.49) DTYMKHCAR3TSHRCASP6ALDH1A1
SCHEMBL11650787 0.75 DTYMK (0.44) DTYMKHCAR3TSHRCASP6ALDH1A1
SCHEMBL7172390 0.75 GPR35 (0.46) TSHRCASP6ALDH1A1TDP1CYP3A4

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
US-4067995-A ANTIALLERGENS; N,N-(CYANO-PHENYLENE)-DIOXAMIC ACID DERIVATIVES THE UPJOHN COMPANY (US) 1978-01-10 US disclosed