SCHEMBL9440318

SCHEMBL9440318

O=C(O)c1cc([N+](=O)[O-])ccn1.[Zn]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
KDM6B O15054 1/20 0.52
TET3 O43151 1/20 0.52
KDM4A O75164 1/20 0.52
BBOX1 O75936 1/20 0.52
KDM5A P29375 1/20 0.52
KDM5C P41229 1/20 0.52
ASPH Q12797 1/20 0.52
KDM4D Q6B0I6 1/20 0.52
TET2 Q6N021 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.52
KDM7A Q6ZMT4 1/20 0.52
KDM8 Q8N371 1/20 0.52
TET1 Q8NFU7 1/20 0.52
EGLN2 Q96KS0 1/20 0.52
FTO Q9C0B1 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
KDM4C Q9H3R0 1/20 0.52

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
SCHEMBL9440315 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL2481383 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL3092547 0.82 TSHR (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
Zinc Ion SCHEMBL9440309 0.82 CA1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL1850044 0.78 GSK3B (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2PYGL
SCHEMBL4037805 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPYGLPYGM
SCHEMBL3639473 0.78 KDM4E (0.52) ALDH1A1KDM4EMAPTTP53PYGL
SCHEMBL29851386 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2PYGL
SCHEMBL18957459 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2PYGL
SCHEMBL31009101 0.77 NPC1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2PYGL

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-0433457-B1 ANTIPRURITIC COMPOSITION SHISEIDO CO LTD (JP) 1994-10-19 EP disclosed
US-5219847-A Antipruritic composition SHISEIDO COMPANY, LTD. (JP) 1993-06-15 US disclosed
EP-0433457-A1 ANTIPRURITIC COMPOSITION SHISEIDO COMPANY LIMITED (JP) 1991-06-26 EP disclosed