SCHEMBL14301697

SCHEMBL14301697

NC(=O)c1cnc(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
NNMT P40261 3/20 0.42
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC2A1 P11166 1/20 0.38
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL4718816 0.81 SMN1; SMN2 (0.41) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL31092300 0.78 KMT2A (0.49) KMT2ANNMTCASP1ALDH1A1TSHR
SCHEMBL801078 0.78 KMT2A (0.49) KMT2ANNMTCASP1ALDH1A1TSHR
SCHEMBL30846439 0.77 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EPOLBLMNA
SCHEMBL574989 0.77 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EPOLBLMNA
SCHEMBL28290440 0.77 TSHR (0.41) KMT2AALDH1A1TSHRKDM4ELMNA
SCHEMBL8066780 0.76 ALDH1A1 (0.48) KMT2ACASP1ALDH1A1CYP1A2CYP2D6
SCHEMBL31539724 0.76 TSHR (0.54) KMT2AALDH1A1TSHRKDM4EPOLB
SCHEMBL801045 0.75 CASP1 (0.54) KMT2ACASP1ALDH1A1TSHRKDM4E
SCHEMBL9899863 0.75 ALDH1A1 (0.47) KMT2ACASP1ALDH1A1CYP1A2CYP2D6

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
EP-1887007-A2 Novel compounds AstraZeneca AB (SE) 2008-02-13 EP disclosed
EP-1625126-B1 IMIDAZO AND THIAZOLOPYRIDINES AS JAK3 KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed