SCHEMBL8749879

SCHEMBL8749879

CCC(Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL10603362 0.88 GPR35 (0.44) TSHRGPR35MEN1KMT2APOLB
SCHEMBL1653003 0.88 GPR35 (0.44) TSHRGPR35MEN1KMT2APOLB
SCHEMBL28062163 0.87 KMT2A (0.53) HCAR3MEN1KMT2APOLBCYP2C9
SCHEMBL8722580 0.87 PLK1 (0.42) HCAR3TSHRGPR35MEN1KMT2A
SCHEMBL1695820 0.86 GPR35 (0.43) TSHRGPR35MEN1KMT2APOLB
SCHEMBL15303188 0.85 ALDH1A1 (0.46) HCAR3KMT2APOLBLMNAALDH1A1
SCHEMBL1652977 0.84 FNTA (0.45) SMN1; SMN2NPSR1LMNAALDH1A1MAPT
SCHEMBL1652970 0.83 KMT2A (0.47) HCAR3SMN1; SMN2TSHRGPR35MEN1
SCHEMBL1653848 0.82 ALDH1A1 (0.46) GPR35MEN1KMT2ALMNAALDH1A1
SCHEMBL10974753 0.82 ALDH1A1 (0.54) HCAR3TSHRGPR35MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524788-B1 Process for lysing liposome membrane WAKO PURE CHEM IND LTD (JP) 1997-02-12 EP disclosed
US-5501953-A MIXING WITH SURFACTANTS, AVIDIN AND BIOTIN FOR MARKING AND RELEASING WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-26 US disclosed
EP-0524788-A1 Process for lysing liposome membrane WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-01-27 EP disclosed