SCHEMBL6168726

SCHEMBL6168726

O=CC1=Cc2cc(Cc3cccnc3)ccc2OC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.42
TBXAS1 P24557 16/20 0.41
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6166743 0.85 ALDH1A1 (0.42) ALDH1A1KMT2ATBXAS1MEN1TP53
SCHEMBL6165724 0.77 ALDH1A1 (0.45) ALDH1A1KMT2ATBXAS1MEN1TP53
SCHEMBL6165973 0.74 ALOX5 (0.60) ALDH1A1KMT2A
SCHEMBL9729518 0.68 ALOX5 (0.59) ALDH1A1KMT2AMEN1
SCHEMBL8807237 0.68 TBXAS1 (0.65) ALDH1A1KMT2ATBXAS1KDM4EMAPT
SCHEMBL10310542 0.67 PTGS1 (0.39) KMT2AKDM4EGAAMAPT
SCHEMBL10705181 0.67 TBXAS1 (0.52) KMT2ATBXAS1MEN1TP53CYP3A4
SCHEMBL2568148 0.67 PTGS1 (0.51) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL6166029 0.66 ERN1 (0.58) TBXAS1
SCHEMBL10955136 0.66 TBXAS1 (0.51) KMT2ATBXAS1MEN1TP53CYP3A4

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-1044974-B1 N-HYDROXYUREA DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-07-20 EP disclosed
US-6291482-B1 THROMBOXANE SYNTHASE INHIBITORY ANTI-INFLAMMATORY DRUG COMPRISING N-HYDROXY-N-(6-(3-PYRIDYMETHYL)-2H-1-BENZOPYRAN-3-YLMETHYL)URE A; ANTIALLERGIC, ANTIASTHMATIC NIKKEN CHEMICALS CO., LTD (JP) 2001-09-18 US disclosed
EP-1044974-A1 N-HYDROXYUREA DERIVATIVE AND MEDICINE CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 2000-10-18 EP disclosed