SCHEMBL11648784

SCHEMBL11648784

CNC(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
TSHR P16473 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP2C9 P11712 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL11725640 0.84 ALDH1A1 (0.50) TSHRALDH1A1MAPTLMNAHTT
SCHEMBL1857266 0.83 MAPK1 (0.51) MAPK1TSHRCA1CA2MMP1
SCHEMBL27538288 0.79 MAPK1 (0.47) MAPK1TSHRCA1CA2MMP1
SCHEMBL29990593 0.79 ALDH1A1 (0.46) CA1MMP2ALDH1A1MAPTLMNA
SCHEMBL20524100 0.79 ALDH1A1 (0.50) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL28120167 0.78 MAPK1 (0.53) MAPK1TSHRCA1CA2MMP1
SCHEMBL7684128 0.78 ALDH1A1 (0.46) MAPK1TSHRCA1CA2MMP1
SCHEMBL28655012 0.77 MAPK1 (0.47) MAPK1TSHRCA1CA2MMP1
SCHEMBL21580855 0.77 TSHR (0.47) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL7684124 0.76 ELANE (0.46) MAPK1TSHRCA1CA2MMP1

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-4106924-A HERBICIDES ICI AUSTRALIA LIMITED (AU) 1978-08-15 US disclosed