SCHEMBL6165724

SCHEMBL6165724

ONCC1=Cc2cc(Cc3cccnc3)ccc2OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TBXAS1 P24557 3/20 0.40
MTNR1A P48039 2/20 0.40
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
ROCK2 O75116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5 P09917 1/20 0.37
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6165973 0.79 ALOX5 (0.60) ALDH1A1KMT2AALOX5
Formamide SCHEMBL9729640 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMTNR1AALOX5
SCHEMBL6168726 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL6166743 0.76 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL9729866 0.71 ALOX5 (0.63) MTNR1AALOX5
SCHEMBL9729495 0.69 ALOX5 (0.61) MTNR1AALOX5
SCHEMBL9729814 0.68 ALOX5 (0.65) MTNR1AALOX5
Hydrochloric Acid SCHEMBL9729584 0.68 MTNR1A (0.73) KMT2AKDM4EGAAMAPTMTNR1A
Hydrochloric Acid SCHEMBL9731115 0.68 ALOX5 (0.60) MTNR1AALOX5
SCHEMBL2313650 0.66

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