SCHEMBL6166743

SCHEMBL6166743

ON=CC1=Cc2cc(Cc3cccnc3)ccc2OC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
BLM P54132 1/20 0.37
TBXAS1 P24557 11/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL6168726 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1TP53
SCHEMBL6165724 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EMEN1TP53
SCHEMBL6165973 0.72 ALOX5 (0.60) ALDH1A1KMT2A
SCHEMBL9729527 0.67 ALOX5 (0.51) ALDH1A1KDM4EGAAMAPT
SCHEMBL9160926 0.64 IDH1 (0.37)
SCHEMBL727185 0.63 CYP1A2 (0.62) TDP1TBXAS1CYP11B1CYP11B2
SCHEMBL10705181 0.62 TBXAS1 (0.52) KMT2AMEN1TP53CYP3A4BLM
SCHEMBL10702687 0.62 IDH1 (0.61) KMT2AMEN1TP53CYP3A4BLM
SCHEMBL14257669 0.62 CYP1A2 (0.56) TBXAS1CYP11B1CYP11B2
SCHEMBL10612341 0.61 TBXAS1 (0.51) KMT2AMEN1TP53CYP3A4BLM

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